| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4299740
Max Phase: Preclinical
Molecular Formula: C13H14N4OS
Molecular Weight: 274.35
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1nn(C)c(C)c1N[S+]([O-])c1cccc(C#N)c1
Standard InChI: InChI=1S/C13H14N4OS/c1-9-13(10(2)17(3)15-9)16-19(18)12-6-4-5-11(7-12)8-14/h4-7,16H,1-3H3
Standard InChI Key: CZFWQPSFZHYMBV-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: 274.35 | Molecular Weight (Monoisotopic): 274.0888 | AlogP: 2.04 | #Rotatable Bonds: 3 |
| Polar Surface Area: 76.70 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.29 | CX Basic pKa: 2.56 | CX LogP: 0.74 | CX LogD: 0.35 |
| Aromatic Rings: 2 | Heavy Atoms: 19 | QED Weighted: 0.87 | Np Likeness Score: -1.77 |
References
| 1. (2015) N-myristoyl transferase inhibitors, |
Source
Source(1):