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ID: ALA4112765
Max Phase: Preclinical
Molecular Formula: C24H38N4O2S
Molecular Weight: 446.66
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1c(NS(=O)(=O)c2ccc(CCCC3CCN(C)CC3)cc2)c(CC(C)C)nn1C
Standard InChI: InChI=1S/C24H38N4O2S/c1-18(2)17-23-24(19(3)28(5)25-23)26-31(29,30)22-11-9-20(10-12-22)7-6-8-21-13-15-27(4)16-14-21/h9-12,18,21,26H,6-8,13-17H2,1-5H3
Standard InChI Key: ZDOBVZZUCJJARZ-UHFFFAOYSA-N
Associated Targets(Human)
Peptide N-myristoyltransferase 1 643 Activities
Associated Targets(non-human)
Glycylpeptide N-tetradecanoyltransferase 506 Activities
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Glycylpeptide N-tetradecanoyltransferase 27 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: 446.66 | Molecular Weight (Monoisotopic): 446.2715 | AlogP: 4.39 | #Rotatable Bonds: 9 |
| Polar Surface Area: 67.23 | Molecular Species: BASE | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.78 | CX Basic pKa: 9.42 | CX LogP: 3.15 | CX LogD: 3.06 |
| Aromatic Rings: 2 | Heavy Atoms: 31 | QED Weighted: 0.62 | Np Likeness Score: -1.04 |
References
| 1. (2015) N-myristoyl transferase inhibitors, |
Source
Source(1):