| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3958400
Max Phase: Preclinical
Molecular Formula: C22H24Cl2F2N6O2S
Molecular Weight: 545.44
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1nn(C)c(C)c1N(C(F)F)S(=O)(=O)c1c(Cl)cc(-c2ccnc(N3CCNCC3)c2)cc1Cl
Standard InChI: InChI=1S/C22H24Cl2F2N6O2S/c1-13-20(14(2)30(3)29-13)32(22(25)26)35(33,34)21-17(23)10-16(11-18(21)24)15-4-5-28-19(12-15)31-8-6-27-7-9-31/h4-5,10-12,22,27H,6-9H2,1-3H3
Standard InChI Key: HAUGBCQQUOZSGH-UHFFFAOYSA-N
Associated Targets(Human)
Peptide N-myristoyltransferase 1 643 Activities
Associated Targets(non-human)
Glycylpeptide N-tetradecanoyltransferase 506 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Glycylpeptide N-tetradecanoyltransferase 109 Activities
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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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 545.44 | Molecular Weight (Monoisotopic): 544.1027 | AlogP: 4.23 | #Rotatable Bonds: 6 |
| Polar Surface Area: 83.36 | Molecular Species: BASE | HBA: 7 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 8 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 8.78 | CX LogP: 4.17 | CX LogD: 2.78 |
| Aromatic Rings: 3 | Heavy Atoms: 35 | QED Weighted: 0.47 | Np Likeness Score: -1.54 |
References
| 1. (2015) N-myristoyl transferase inhibitors, |
Source
Source(1):