ID: ALA1736701
Chembl Id: CHEMBL1736701
PubChem CID: 46926570
Max Phase: Preclinical
Molecular Formula: C19H14N2O
Molecular Weight: 286.33
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: Cc1ccc(C(=O)n2c3ccccc3c3ccncc32)cc1
Standard InChI: InChI=1S/C19H14N2O/c1-13-6-8-14(9-7-13)19(22)21-17-5-3-2-4-15(17)16-10-11-20-12-18(16)21/h2-12H,1H3
Standard InChI Key: FVFDQLDLHVKRNV-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 286.33 | Molecular Weight (Monoisotopic): 286.1106 | AlogP: 4.19 | #Rotatable Bonds: 1 |
| Polar Surface Area: 34.89 | Molecular Species: NEUTRAL | HBA: 3 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 3 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: 4.06 | CX LogP: 3.56 | CX LogD: 3.56 |
| Aromatic Rings: 4 | Heavy Atoms: 22 | QED Weighted: 0.53 | Np Likeness Score: -0.83 |
| 1. PubChem BioAssay data set, |
Source(1):
