N-(4-((3S,5R)-3-amino-5-methylpiperidin-1-yl)pyridin-3-yl)-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine

ID: ALA3942186

Chembl Id: CHEMBL3942186

Cas Number: 1405126-60-4

PubChem CID: 70982568

Max Phase: Preclinical

Molecular Formula: C23H23F2N7

Molecular Weight: 435.48

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Canonical SMILES:  C[C@@H]1C[C@H](N)CN(c2ccncc2Nc2ncc3ccc(-c4c(F)cccc4F)nn23)C1

Standard InChI:  InChI=1S/C23H23F2N7/c1-14-9-15(26)13-31(12-14)21-7-8-27-11-20(21)29-23-28-10-16-5-6-19(30-32(16)23)22-17(24)3-2-4-18(22)25/h2-8,10-11,14-15H,9,12-13,26H2,1H3,(H,28,29)/t14-,15+/m1/s1

Standard InChI Key:  BYFQNMWZRKKFRI-CABCVRRESA-N

Associated Targets(Human)

PIM1 Tchem Serine/threonine-protein kinase PIM1 (9629 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PIM2 Tchem Serine/threonine-protein kinase PIM2 (5873 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PIM1 Tchem Serine/threonine-protein kinase PIM (115 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CSNK2A1 Tchem Casein kinase II alpha (3512 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CSNK2A2 Tchem Casein kinase II alpha (prime) (1587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAPK15 Tchem Mitogen-activated protein kinase 15 (766 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
FLT3 Tclin Tyrosine-protein kinase receptor FLT3 (13481 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GSK3A Tclin Glycogen synthase kinase-3 alpha (3764 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HIPK1 Tchem Homeodomain-interacting protein kinase 1 (1559 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HIPK2 Tchem Homeodomain-interacting protein kinase 2 (1644 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HIPK3 Tchem Homeodomain-interacting protein kinase 3 (791 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAPK13 Tchem MAP kinase p38 delta (2605 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PIP5K1C Tchem Phosphatidylinositol-4-phosphate 5-kinase type-1 gamma (331 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TAOK1 Tchem Serine/threonine-protein kinase TAO1 (2019 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TAOK2 Tchem Serine/threonine-protein kinase TAO2 (964 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TAOK3 Tchem Serine/threonine-protein kinase TAO3 (1005 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
VRK2 Tbio Serine/threonine-protein kinase VRK2 (740 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KMS-12-BM (62 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PIM3 Tchem Serine/threonine-protein kinase PIM3 (4133 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 435.48Molecular Weight (Monoisotopic): 435.1983AlogP: 3.99#Rotatable Bonds: 4
Polar Surface Area: 84.37Molecular Species: BASEHBA: 7HBD: 2
#RO5 Violations: HBA (Lipinski): 7HBD (Lipinski): 3#RO5 Violations (Lipinski):
CX Acidic pKa: CX Basic pKa: 9.89CX LogP: 3.67CX LogD: 0.47
Aromatic Rings: 4Heavy Atoms: 32QED Weighted: 0.50Np Likeness Score: -1.27

References

1. Wurz RP, Sastri C, D'Amico DC, Herberich B, Jackson CLM, Pettus LH, Tasker AS, Wu B, Guerrero N, Lipford JR, Winston JT, Yang Y, Wang P, Nguyen Y, Andrews KL, Huang X, Lee MR, Mohr C, Zhang JD, Reid DL, Xu Y, Zhou Y, Wang HL..  (2016)  Discovery of imidazopyridazines as potent Pim-1/2 kinase inhibitors.,  26  (22): [PMID:27769621] [10.1016/j.bmcl.2016.09.067]
2.  (2015)  Bicyclic pyridazine compounds as Pim inhibitors,