| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4115228
Max Phase: Preclinical
Molecular Formula: C17H23N5O3S
Molecular Weight: 377.47
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(CN2CCNC(=O)C2)cc1
Standard InChI: InChI=1S/C17H23N5O3S/c1-12-17(13(2)21(3)19-12)20-26(24,25)15-6-4-14(5-7-15)10-22-9-8-18-16(23)11-22/h4-7,20H,8-11H2,1-3H3,(H,18,23)
Standard InChI Key: RYEROGKNXJAYLP-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: 377.47 | Molecular Weight (Monoisotopic): 377.1522 | AlogP: 0.77 | #Rotatable Bonds: 5 |
| Polar Surface Area: 96.33 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.70 | CX Basic pKa: 5.02 | CX LogP: -0.23 | CX LogD: -0.70 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.80 | Np Likeness Score: -2.10 |
References
| 1. (2015) N-myristoyl transferase inhibitors, |
Source
Source(1):