ID: ALA4527793
Chembl Id: CHEMBL4527793
PubChem CID: 141991257
Max Phase: Preclinical
Molecular Formula: C10H9N3OS
Molecular Weight: 219.27
Molecule Type: Unknown
Associated Items:
Canonical SMILES: N=C1NC(=O)/C(=C/c2ccc(N)cc2)S1
Standard InChI: InChI=1S/C10H9N3OS/c11-7-3-1-6(2-4-7)5-8-9(14)13-10(12)15-8/h1-5H,11H2,(H2,12,13,14)/b8-5-
Standard InChI Key: QXOIZYPBCJHYLN-YVMONPNESA-N
| 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: Unknown | 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: 219.27 | Molecular Weight (Monoisotopic): 219.0466 | AlogP: 1.41 | #Rotatable Bonds: 1 |
| Polar Surface Area: 78.97 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: ┄ | HBA (Lipinski): 4 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 10.86 | CX Basic pKa: 3.77 | CX LogP: 1.03 | CX LogD: 1.03 |
| Aromatic Rings: 1 | Heavy Atoms: 15 | QED Weighted: 0.49 | Np Likeness Score: -1.14 |
| 1. (2018) DNA2 inhibitors for cancer treatment, |
Source(1):
