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ID: ALA1705193
Max Phase: Preclinical
Molecular Formula: C17H13NO
Molecular Weight: 247.30
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=CN(c1ccccc1)c1ccc2ccccc2c1
Standard InChI: InChI=1S/C17H13NO/c19-13-18(16-8-2-1-3-9-16)17-11-10-14-6-4-5-7-15(14)12-17/h1-13H
Standard InChI Key: PVSDKMXJGMUWFA-UHFFFAOYSA-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: 247.30 | Molecular Weight (Monoisotopic): 247.0997 | AlogP: 4.13 | #Rotatable Bonds: 3 |
| Polar Surface Area: 20.31 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.67 | CX LogD: 3.67 |
| Aromatic Rings: 3 | Heavy Atoms: 19 | QED Weighted: 0.64 | Np Likeness Score: -0.18 |
References
| 1. PubChem BioAssay data set, |
