The store will not work correctly when cookies are disabled.
SID4258420
ID: ALA1447133
Chembl Id: CHEMBL1447133
Cas Number: 714278-25-8
PubChem CID: 974684
Max Phase: Preclinical
Molecular Formula: C12H10ClN5
Molecular Weight: 259.70
Molecule Type: Small molecule
Associated Items:
Names and Identifiers
Canonical SMILES: Cc1cc(-c2ccc(Cl)cc2)n2nc(N)nc2n1
Standard InChI: InChI=1S/C12H10ClN5/c1-7-6-10(8-2-4-9(13)5-3-8)18-12(15-7)16-11(14)17-18/h2-6H,1H3,(H2,14,17)
Standard InChI Key: ISLNRDBSNQKMLC-UHFFFAOYSA-N
Associated Targets(Human)
Associated Targets(non-human)
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 |
|---|
Calculated Properties
| Molecular Weight: 259.70 | Molecular Weight (Monoisotopic): 259.0625 | AlogP: 2.34 | #Rotatable Bonds: 1 |
| Polar Surface Area: 69.10 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: ┄ | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: 1.24 | CX LogP: 2.37 | CX LogD: 2.37 |
| Aromatic Rings: 3 | Heavy Atoms: 18 | QED Weighted: 0.73 | Np Likeness Score: -1.95 |
References
| 1. PubChem BioAssay data set, |
