The store will not work correctly when cookies are disabled.
ID: ALA3214072
Max Phase: Preclinical
Molecular Formula: C12H14N4O2
Molecular Weight: 246.27
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc(/C=N/NC(=O)Cn2nccc2C)o1
Standard InChI: InChI=1S/C12H14N4O2/c1-9-5-6-14-16(9)8-12(17)15-13-7-11-4-3-10(2)18-11/h3-7H,8H2,1-2H3,(H,15,17)/b13-7+
Standard InChI Key: YNPAHIMZCXEOLG-NTUHNPAUSA-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: 246.27 | Molecular Weight (Monoisotopic): 246.1117 | AlogP: 1.24 | #Rotatable Bonds: 4 |
| Polar Surface Area: 72.42 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.58 | CX Basic pKa: 2.87 | CX LogP: 0.67 | CX LogD: 0.67 |
| Aromatic Rings: 2 | Heavy Atoms: 18 | QED Weighted: 0.65 | Np Likeness Score: -2.89 |
References
| 1. PubChem BioAssay data set, |
