The store will not work correctly when cookies are disabled.
ID: ALA3213080
Max Phase: Preclinical
Molecular Formula: C13H11N3O2
Molecular Weight: 241.25
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(N/N=C\c1cccnc1)c1ccccc1O
Standard InChI: InChI=1S/C13H11N3O2/c17-12-6-2-1-5-11(12)13(18)16-15-9-10-4-3-7-14-8-10/h1-9,17H,(H,16,18)/b15-9-
Standard InChI Key: MJUFMNKLYSRONJ-DHDCSXOGSA-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: 241.25 | Molecular Weight (Monoisotopic): 241.0851 | AlogP: 1.55 | #Rotatable Bonds: 3 |
| Polar Surface Area: 74.58 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.03 | CX Basic pKa: 4.38 | CX LogP: 2.09 | CX LogD: 2.00 |
| Aromatic Rings: 2 | Heavy Atoms: 18 | QED Weighted: 0.63 | Np Likeness Score: -1.63 |
References
| 1. PubChem BioAssay data set, |
