ID: ALA2009483
Chembl Id: CHEMBL2009483
PubChem CID: 360561
Max Phase: Preclinical
Molecular Formula: C10H10ClN3S2
Molecular Weight: 271.80
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CN(C)c1n/c(=N/c2cccc(Cl)c2)ss1
Standard InChI: InChI=1S/C10H10ClN3S2/c1-14(2)10-13-9(15-16-10)12-8-5-3-4-7(11)6-8/h3-6H,1-2H3/b12-9-
Standard InChI Key: MALWOGDXLOLYKL-XFXZXTDPSA-N
Alternative Forms:
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 271.80 | Molecular Weight (Monoisotopic): 271.0005 | AlogP: 3.16 | #Rotatable Bonds: 2 |
| Polar Surface Area: 28.49 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 4.18 | CX LogP: 4.07 | CX LogD: 4.07 |
| Aromatic Rings: 2 | Heavy Atoms: 16 | QED Weighted: 0.79 | Np Likeness Score: -1.47 |
| 1. (2018) INHIBITORS OF SARM1 NADase ACTIVITY AND USES THEREOF, |
Source(1):
