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ID: ALA3208802
Max Phase: Preclinical
Molecular Formula: C19H15N5O
Molecular Weight: 329.36
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1nc2ccccc2c(=O)n1/N=C/c1c[nH]nc1-c1ccccc1
Standard InChI: InChI=1S/C19H15N5O/c1-13-22-17-10-6-5-9-16(17)19(25)24(13)21-12-15-11-20-23-18(15)14-7-3-2-4-8-14/h2-12H,1H3,(H,20,23)/b21-12+
Standard InChI Key: YYKAIOWTGLZQLG-CIAFOILYSA-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: 329.36 | Molecular Weight (Monoisotopic): 329.1277 | AlogP: 2.98 | #Rotatable Bonds: 3 |
| Polar Surface Area: 75.93 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.98 | CX Basic pKa: 3.32 | CX LogP: 3.25 | CX LogD: 3.25 |
| Aromatic Rings: 4 | Heavy Atoms: 25 | QED Weighted: 0.59 | Np Likeness Score: -1.61 |
References
| 1. PubChem BioAssay data set, |
