| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4115225
Max Phase: Preclinical
Molecular Formula: C27H30N6O2S
Molecular Weight: 502.64
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(-c2ccnc(N3CCNC(c4ccccc4)C3)c2)cc1
Standard InChI: InChI=1S/C27H30N6O2S/c1-19-27(20(2)32(3)30-19)31-36(34,35)24-11-9-21(10-12-24)23-13-14-29-26(17-23)33-16-15-28-25(18-33)22-7-5-4-6-8-22/h4-14,17,25,28,31H,15-16,18H2,1-3H3
Standard InChI Key: RGQYVCHLCIFRLF-UHFFFAOYSA-N
Associated Targets(non-human)
Glycylpeptide N-tetradecanoyltransferase 506 Activities
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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 502.64 | Molecular Weight (Monoisotopic): 502.2151 | AlogP: 4.05 | #Rotatable Bonds: 6 |
| Polar Surface Area: 92.15 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 6.68 | CX Basic pKa: 8.21 | CX LogP: 2.48 | CX LogD: 2.58 |
| Aromatic Rings: 4 | Heavy Atoms: 36 | QED Weighted: 0.41 | Np Likeness Score: -1.50 |
References
| 1. (2015) N-myristoyl transferase inhibitors, |
Source
Source(1):