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ID: ALA2145338
Max Phase: Preclinical
Molecular Formula: C17H13FO
Molecular Weight: 252.29
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C1C(=Cc2ccc(F)cc2)CCc2ccccc21
Standard InChI: InChI=1S/C17H13FO/c18-15-9-5-12(6-10-15)11-14-8-7-13-3-1-2-4-16(13)17(14)19/h1-6,9-11H,7-8H2
Standard InChI Key: UFYHKHRBFAQTGQ-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: 252.29 | Molecular Weight (Monoisotopic): 252.0950 | AlogP: 4.04 | #Rotatable Bonds: 1 |
| Polar Surface Area: 17.07 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 1 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.48 | CX LogD: 4.48 |
| Aromatic Rings: 2 | Heavy Atoms: 19 | QED Weighted: 0.70 | Np Likeness Score: -0.70 |
References
| 1. PubChem BioAssay data set, |
