| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4115385
Max Phase: Preclinical
Molecular Formula: C15H19N3O4S
Molecular Weight: 337.40
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(C2OCCO2)cc1
Standard InChI: InChI=1S/C15H19N3O4S/c1-10-14(11(2)18(3)16-10)17-23(19,20)13-6-4-12(5-7-13)15-21-8-9-22-15/h4-7,15,17H,8-9H2,1-3H3
Standard InChI Key: KRNAIUOXHKDJNP-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: 337.40 | Molecular Weight (Monoisotopic): 337.1096 | AlogP: 1.88 | #Rotatable Bonds: 4 |
| Polar Surface Area: 82.45 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.69 | CX Basic pKa: 2.90 | CX LogP: 1.20 | CX LogD: 0.61 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.92 | Np Likeness Score: -1.70 |
References
| 1. (2015) N-myristoyl transferase inhibitors, |
Source
Source(1):