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ID: ALA4109438
Max Phase: Preclinical
Molecular Formula: C21H23N5O2S
Molecular Weight: 409.52
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ncccc1NS(=O)(=O)c1ccc(-c2ccnc(N3CCNCC3)c2)cc1
Standard InChI: InChI=1S/C21H23N5O2S/c1-16-20(3-2-9-23-16)25-29(27,28)19-6-4-17(5-7-19)18-8-10-24-21(15-18)26-13-11-22-12-14-26/h2-10,15,22,25H,11-14H2,1H3
Standard InChI Key: XQFFEELKXUEKNR-UHFFFAOYSA-N
Associated Targets(non-human)
Glycylpeptide N-tetradecanoyltransferase 506 Activities
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: 409.52 | Molecular Weight (Monoisotopic): 409.1572 | AlogP: 2.66 | #Rotatable Bonds: 5 |
| Polar Surface Area: 87.22 | Molecular Species: BASE | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.25 | CX Basic pKa: 8.80 | CX LogP: 0.95 | CX LogD: 0.78 |
| Aromatic Rings: 3 | Heavy Atoms: 29 | QED Weighted: 0.67 | Np Likeness Score: -1.54 |
References
| 1. (2015) N-myristoyl transferase inhibitors, |
Source
Source(1):