The store will not work correctly when cookies are disabled.
ID: ALA3211843
Max Phase: Preclinical
Molecular Formula: C12H9ClN4O2
Molecular Weight: 276.68
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(O)c1ccc(/C=N/Nc2ccc(Cl)nn2)cc1
Standard InChI: InChI=1S/C12H9ClN4O2/c13-10-5-6-11(17-15-10)16-14-7-8-1-3-9(4-2-8)12(18)19/h1-7H,(H,16,17)(H,18,19)/b14-7+
Standard InChI Key: YOZKAXWBSRJVDP-VGOFMYFVSA-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 |
|---|
Properties
| Molecular Weight: 276.68 | Molecular Weight (Monoisotopic): 276.0414 | AlogP: 2.27 | #Rotatable Bonds: 4 |
| Polar Surface Area: 87.47 | Molecular Species: ACID | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.04 | CX Basic pKa: 3.17 | CX LogP: 2.28 | CX LogD: -0.50 |
| Aromatic Rings: 2 | Heavy Atoms: 19 | QED Weighted: 0.66 | Np Likeness Score: -1.65 |
References
| 1. PubChem BioAssay data set, |
