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SID14734307
ID: ALA1421736
Chembl Id: CHEMBL1421736
PubChem CID: 9550597
Max Phase: Preclinical
Molecular Formula: C19H15ClN2O2
Molecular Weight: 338.79
Molecule Type: Small molecule
Associated Items:
Names and Identifiers
Canonical SMILES: N=C(Cc1ccc(Cl)cc1)NOC(=O)c1ccc2ccccc2c1
Standard InChI: InChI=1S/C19H15ClN2O2/c20-17-9-5-13(6-10-17)11-18(21)22-24-19(23)16-8-7-14-3-1-2-4-15(14)12-16/h1-10,12H,11H2,(H2,21,22)
Standard InChI Key: GEWWLRYGMYJUOD-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 |
|---|
Calculated Properties
| Molecular Weight: 338.79 | Molecular Weight (Monoisotopic): 338.0822 | AlogP: 4.37 | #Rotatable Bonds: 3 |
| Polar Surface Area: 62.18 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: ┄ | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: 7.51 | CX LogP: 4.73 | CX LogD: 4.37 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.42 | Np Likeness Score: -0.58 |
References
| 1. PubChem BioAssay data set, |
