| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4299741
Max Phase: Preclinical
Molecular Formula: C20H22BrN5OS
Molecular Weight: 460.40
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1nn(C)c(C)c1N[S+]([O-])c1ccc(N2CCc3ccc(Br)cc3C2)nc1
Standard InChI: InChI=1S/C20H22BrN5OS/c1-13-20(14(2)25(3)23-13)24-28(27)18-6-7-19(22-11-18)26-9-8-15-4-5-17(21)10-16(15)12-26/h4-7,10-11,24H,8-9,12H2,1-3H3
Standard InChI Key: UFLQUFCULUQCIP-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: 460.40 | Molecular Weight (Monoisotopic): 459.0728 | AlogP: 3.89 | #Rotatable Bonds: 4 |
| Polar Surface Area: 69.04 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.26 | CX Basic pKa: 3.50 | CX LogP: 2.90 | CX LogD: 2.49 |
| Aromatic Rings: 3 | Heavy Atoms: 28 | QED Weighted: 0.60 | Np Likeness Score: -1.56 |
References
| 1. (2015) N-myristoyl transferase inhibitors, |
Source
Source(1):