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SID89854692
ID: ALA1706417
Chembl Id: CHEMBL1706417
Cas Number: 1692-62-2
PubChem CID: 241922
Max Phase: Preclinical
Molecular Formula: C17H10FNO2
Molecular Weight: 279.27
Molecule Type: Small molecule
Associated Items:
Names and Identifiers
Canonical SMILES: O=C1C=CC(=Nc2ccc3c(c2)Cc2cc(F)ccc2-3)O1
Standard InChI: InChI=1S/C17H10FNO2/c18-12-1-3-14-10(8-12)7-11-9-13(2-4-15(11)14)19-16-5-6-17(20)21-16/h1-6,8-9H,7H2
Standard InChI Key: AEVNPJMQKUHUIY-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: 279.27 | Molecular Weight (Monoisotopic): 279.0696 | AlogP: 3.54 | #Rotatable Bonds: 1 |
| Polar Surface Area: 38.66 | Molecular Species: NEUTRAL | HBA: 3 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 3 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: 4.63 | CX LogD: 4.63 |
| Aromatic Rings: 2 | Heavy Atoms: 21 | QED Weighted: 0.64 | Np Likeness Score: -0.17 |
References
| 1. PubChem BioAssay data set, |
