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ID: ALA4112060
Max Phase: Preclinical
Molecular Formula: C24H31FN4O2S
Molecular Weight: 458.60
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1c(NS(=O)(=O)c2ccc(-c3ccc(F)c(CN(C)C)c3)cc2)c(CC(C)C)nn1C
Standard InChI: InChI=1S/C24H31FN4O2S/c1-16(2)13-23-24(17(3)29(6)26-23)27-32(30,31)21-10-7-18(8-11-21)19-9-12-22(25)20(14-19)15-28(4)5/h7-12,14,16,27H,13,15H2,1-6H3
Standard InChI Key: OYCYNVBHMJSUKL-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: 458.60 | Molecular Weight (Monoisotopic): 458.2152 | AlogP: 4.60 | #Rotatable Bonds: 8 |
| Polar Surface Area: 67.23 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.64 | CX Basic pKa: 7.79 | CX LogP: 3.32 | CX LogD: 3.41 |
| Aromatic Rings: 3 | Heavy Atoms: 32 | QED Weighted: 0.54 | Np Likeness Score: -1.61 |
References
| 1. (2015) N-myristoyl transferase inhibitors, |
Source
Source(1):