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ID: ALA2218940
Max Phase: Preclinical
Molecular Formula: C16H12F3N3S
Molecular Weight: 335.35
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: N#C/C(=C(\N)Sc1ccc(N)cc1)c1ccccc1C(F)(F)F
Standard InChI: InChI=1S/C16H12F3N3S/c17-16(18,19)14-4-2-1-3-12(14)13(9-20)15(22)23-11-7-5-10(21)6-8-11/h1-8H,21-22H2/b15-13-
Standard InChI Key: JLOXTZFYJNCPIS-SQFISAMPSA-N
Associated Targets(Human)
Serine/threonine-protein kinase MARK1 1633 Activities
Serine/threonine-protein kinase SRPK3 1445 Activities
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Serine/threonine-protein kinase NEK6 1986 Activities
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Serine/threonine-protein kinase NEK7 1804 Activities
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Tyrosine-protein kinase ABL2 1851 Activities
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Cyclin-dependent kinase 2/cyclin A 2220 Activities
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Casein kinase I isoform gamma-3 2408 Activities
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CaM kinase I delta 2141 Activities
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Death-associated protein kinase 1 1664 Activities
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Ephrin type-A receptor 4 2022 Activities
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Fibroblast growth factor receptor 3 7811 Activities
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Tyrosine-protein kinase FYN 5308 Activities
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Tyrosine-protein kinase HCK 2743 Activities
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Inhibitor of nuclear factor kappa B kinase alpha subunit 3170 Activities
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c-Jun N-terminal kinase 3 3396 Activities
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Dual specificity mitogen-activated protein kinase kinase 1 4127 Activities
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Serine/threonine-protein kinase MST1 2643 Activities
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Serine/threonine-protein kinase Aurora-A 10240 Activities
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Cyclin-dependent kinase 2/cyclin E 1410 Activities
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Casein kinase I delta 4546 Activities
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Ephrin type-A receptor 5 1056 Activities
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Fibroblast growth factor receptor 4 3668 Activities
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Mitogen-activated protein kinase kinase kinase kinase 2 2692 Activities
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Insulin-like growth factor I receptor 8605 Activities
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Inhibitor of nuclear factor kappa B kinase beta subunit 5554 Activities
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Vascular endothelial growth factor receptor 2 20924 Activities
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Serine/threonine protein kinase NLK 977 Activities
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Serine/threonine-protein kinase Aurora-B 6805 Activities
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CDK3/cyclin E 347 Activities
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Casein kinase II 1406 Activities
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Death-associated protein kinase 2 740 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Ephrin type-A receptor 7 1002 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Tyrosine-protein kinase FER 2362 Activities
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G protein-coupled receptor kinase 5 1126 Activities
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Insulin receptor 5558 Activities
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Maternal embryonic leucine zipper kinase 3491 Activities
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Serine/threonine-protein kinase MST2 3069 Activities
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Serine/threonine-protein kinase PAK 2 1925 Activities
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Cyclin-dependent kinase 5/CDK5 activator 1 3697 Activities
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Casein kinase II alpha (prime) 1587 Activities
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Serine/threonine-protein kinase DCLK2 1443 Activities
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Ephrin type-A receptor 8 790 Activities
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LIM domain kinase 1 2329 Activities
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Misshapen-like kinase 1 2339 Activities
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Serine/threonine-protein kinase 24 980 Activities
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Serine/threonine-protein kinase PAK 3 1514 Activities
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Serine/threonine-protein kinase Aurora-C 1780 Activities
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Discoidin domain-containing receptor 2 2199 Activities
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G protein-coupled receptor kinase 6 1545 Activities
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Serine/threonine-protein kinase 11 1020 Activities
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Dual specificity mitogen-activated protein kinase kinase 6 1284 Activities
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Proto-oncogene tyrosine-protein kinase MER 2687 Activities
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Tyrosine kinase non-receptor protein 2 2836 Activities
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Tyrosine-protein kinase receptor UFO 3469 Activities
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Dual specificity protein kinase CLK2 3942 Activities
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Ephrin type-B receptor 1 840 Activities
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G protein-coupled receptor kinase 7 1362 Activities
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Interleukin-1 receptor-associated kinase 1 1749 Activities
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Serine/threonine-protein kinase 10 2119 Activities
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ALK tyrosine kinase receptor 7132 Activities
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Tyrosine-protein kinase BRK 2605 Activities
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CDK6/cyclin D3 897 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Dual specificity protein kinase CLK3 2711 Activities
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Myotonin-protein kinase 927 Activities
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Ephrin type-B receptor 2 1899 Activities
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Glycogen synthase kinase-3 alpha 3764 Activities
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Interleukin-1 receptor-associated kinase 4 5917 Activities
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Dual specificity mitogen-activated protein kinase kinase 7 1145 Activities
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Hepatocyte growth factor receptor 10718 Activities
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Tyrosine-protein kinase BTK 8973 Activities
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Cyclin-dependent kinase 7/ cyclin H 714 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Tyrosine-protein kinase CSK 2395 Activities
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Serine/threonine-protein kinase 17A 1791 Activities
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Ephrin type-B receptor 3 1881 Activities
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Tyrosine-protein kinase LCK 9212 Activities
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Myosin light chain kinase, smooth muscle 1267 Activities
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MAP kinase signal-integrating kinase 2 3518 Activities
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Activin receptor type-1B 1131 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Dual-specificity tyrosine-phosphorylation regulated kinase 2 2095 Activities
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Tyrosine-protein kinase FES 2339 Activities
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Glycogen synthase kinase-3 beta 11785 Activities
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Insulin receptor-related protein 1535 Activities
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Mitogen-activated protein kinase kinase kinase 9 945 Activities
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AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1 619 Activities
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Tyrosine-protein kinase BLK 2498 Activities
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CDK9/cyclin T1 2643 Activities
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CaM kinase I alpha 1664 Activities
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Ephrin type-B receptor 4 3198 Activities
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Tyrosine-protein kinase FGR 1748 Activities
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Homeodomain-interacting protein kinase 1 1559 Activities
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Tyrosine-protein kinase ITK/TSK 3699 Activities
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Tyrosine-protein kinase Lyn 4251 Activities
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Muscle, skeletal receptor tyrosine protein kinase 1511 Activities
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AMP-activated protein kinase, AMPK 12273 Activities
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Tyrosine-protein kinase BMX 1995 Activities
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Serine/threonine-protein kinase Chk1 6846 Activities
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CaM kinase II beta 1626 Activities
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Epidermal growth factor receptor erbB1 33727 Activities
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Receptor protein-tyrosine kinase erbB-4 2748 Activities
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Vascular endothelial growth factor receptor 1 6262 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Tyrosine-protein kinase JAK2 12915 Activities
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Serine/threonine-protein kinase MRCK-A 2525 Activities
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Serine/threonine-protein kinase Nek11 645 Activities
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BR serine/threonine-protein kinase 1 2120 Activities
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Serine/threonine-protein kinase Chk2 4015 Activities
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CaM kinase II gamma 1752 Activities
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Ephrin type-A receptor 1 1040 Activities
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Focal adhesion kinase 1 4730 Activities
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Homeodomain-interacting protein kinase 2 1644 Activities
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MAP kinase ERK1 4725 Activities
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Serine/threonine-protein kinase MRCK beta 1668 Activities
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Serine/threonine-protein kinase NEK2 3514 Activities
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NUAK family SNF1-like kinase 1 1769 Activities
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Tyrosine-protein kinase receptor FLT3 13481 Activities
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Homeodomain-interacting protein kinase 3 791 Activities
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Tyrosine-protein kinase JAK3 8349 Activities
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MAP kinase ERK2 25055 Activities
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Ribosomal protein S6 kinase alpha 5 3355 Activities
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Mitogen-activated protein kinase kinase kinase 5 1965 Activities
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BR serine/threonine-protein kinase 2 1562 Activities
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Casein kinase I gamma 1 2496 Activities
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CaM kinase II delta 2813 Activities
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Ephrin type-A receptor 2 3499 Activities
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Fibroblast growth factor receptor 1 9149 Activities
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Vascular endothelial growth factor receptor 3 3216 Activities
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Serine/threonine-protein kinase haspin 906 Activities
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c-Jun N-terminal kinase 1 5038 Activities
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MAP kinase-activated protein kinase 2 4814 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Serine/threonine-protein kinase Nek3 902 Activities
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Tyrosine-protein kinase ABL 18331 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Cyclin-dependent kinase 1/cyclin B1 1887 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Casein kinase I gamma 2 2539 Activities
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CaM kinase IV 2116 Activities
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Ephrin type-A receptor 3 1582 Activities
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Fibroblast growth factor receptor 2 3405 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Macrophage colony stimulating factor receptor 5179 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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c-Jun N-terminal kinase 2 4655 Activities
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Ribosomal protein S6 kinase alpha 4 2104 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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MAP kinase-activated protein kinase 3 2212 Activities
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3-phosphoinositide dependent protein kinase-1 3758 Activities
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cAMP-dependent protein kinase alpha-catalytic subunit 3475 Activities
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Protein kinase C eta 1863 Activities
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Serine/threonine-protein kinase PIM2 5873 Activities
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Tyrosine-protein kinase receptor TYRO3 2906 Activities
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Serine/threonine-protein kinase SIK1 1440 Activities
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Serine/threonine-protein kinase tousled-like 2 710 Activities
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Serine/threonine-protein kinase WNK3 529 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Protein kinase C theta 3319 Activities
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Serine/threonine-protein kinase PIM3 4133 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Ribosomal protein S6 kinase alpha 1 2796 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Serine/threonine-protein kinase SRPK1 2359 Activities
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Testis-specific serine/threonine-protein kinase 1 2038 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Tyrosine-protein kinase YES 2781 Activities
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Serine/threonine-protein kinase AKT 9192 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Protein kinase C iota 2821 Activities
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Serine/threonine-protein kinase PLK1 28605 Activities
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Ribosomal protein S6 kinase alpha 3 4284 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Serine/threonine-protein kinase SRPK2 719 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Serine/threonine-protein kinase AKT2 4301 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Protein kinase C mu 1904 Activities
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Serine/threonine-protein kinase PLK3 1916 Activities
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Testis-specific serine/threonine-protein kinase 2 1720 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Tyrosine-protein kinase ZAP-70 2189 Activities
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Serine/threonine-protein kinase AKT3 3157 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Ribosomal protein S6 kinase alpha 2 2184 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Serine/threonine-protein kinase 33 769 Activities
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Tyrosine-protein kinase TEC 1891 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Death-associated protein kinase 3 2108 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Serine/threonine-protein kinase D2 2847 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Serine/threonine-protein kinase PRKX 2278 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Ribosomal protein S6 kinase alpha 6 2027 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Serine/threonine-protein kinase PLK2 1028 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Tyrosine-protein kinase TIE-2 3348 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Serine/threonine-protein kinase RAF 4169 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Serine/threonine-protein kinase PAK 4 3212 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Protein kinase C alpha 5923 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
cGMP-dependent protein kinase 1 beta 2814 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Protein tyrosine kinase 2 beta 2827 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
MAP kinase p38 alpha 12866 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Tyrosine-protein kinase SYK 7372 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Serine/threonine-protein kinase PAK7 1760 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Protein kinase C beta 4071 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Nerve growth factor receptor Trk-A 7922 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Stem cell growth factor receptor 10667 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Serine/threonine-protein kinase PAK6 1915 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Serine/threonine-protein kinase RIPK2 1546 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
MAP kinase p38 beta 2785 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Mitogen-activated protein kinase kinase kinase 7 1167 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Neurotrophic tyrosine kinase receptor type 2 3279 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Tyrosine-protein kinase SRC 10310 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
MAP kinase-activated protein kinase 5 2831 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Rho-associated protein kinase 1 4723 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
MAP kinase p38 gamma 2776 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Serine/threonine-protein kinase TAO1 2019 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Tyrosine-protein kinase TXK 1590 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Serine/threonine-protein kinase EEF2K 1246 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
MAP/microtubule affinity-regulating kinase 2 2524 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Protein kinase C gamma 2471 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Protein kinase N2 1991 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Rho-associated protein kinase 2 6206 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
MAP kinase p38 delta 2605 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
PAS domain-containing serine/threonine-protein kinase 3504 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Protein kinase C delta 2953 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Tyrosine-protein kinase FRK 2284 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Serine/threonine-protein kinase TAO2 964 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Serine/threonine-protein kinase ULK2 652 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Serine/threonine-protein kinase mTOR 13850 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Platelet-derived growth factor receptor alpha 5682 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Tyrosine-protein kinase receptor RET 6732 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Serine/threonine-protein kinase Sgk1 2343 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Serine/threonine-protein kinase TAO3 1005 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Serine/threonine-protein kinase ULK3 913 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Protein kinase C epsilon 1520 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Phosphorylase kinase gamma subunit 2 2281 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Macrophage-stimulating protein receptor 2327 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Serine/threonine-protein kinase Sgk2 2068 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Serine/threonine-protein kinase TBK1 3746 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Serine/threonine-protein kinase VRK2 740 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Platelet-derived growth factor receptor beta 5195 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Protein kinase C zeta 2414 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Serine/threonine-protein kinase PIM1 9629 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Proto-oncogene tyrosine-protein kinase ROS 2436 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Serine/threonine-protein kinase Sgk3 1431 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Ribosomal protein S6 kinase 1 4456 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
TGF-beta receptor type I 3786 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Serine/threonine-protein kinase WNK2 570 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 335.35 | Molecular Weight (Monoisotopic): 335.0704 | AlogP: 4.23 | #Rotatable Bonds: 3 |
| Polar Surface Area: 75.83 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.91 | CX LogP: 3.80 | CX LogD: 3.80 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.50 | Np Likeness Score: -0.95 |
References
| 1. Gao Y, Davies SP, Augustin M, Woodward A, Patel UA, Kovelman R, Harvey KJ.. (2013) A broad activity screen in support of a chemogenomic map for kinase signalling research and drug discovery., 451 (2): [PMID:23398362] [10.1042/bj20121418] |
| 2. Mark Wenlock and Nicholas Tomkinson. Experimental in vitro DMPK and physicochemical data on a set of publicly disclosed compounds, [10.6019/CHEMBL3301361] |
Source
Source(2):