ID: ALA468540
Chembl Id: CHEMBL468540
PubChem CID: 25184517
Max Phase: Preclinical
Molecular Formula: C14H7F4N
Molecular Weight: 265.21
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: N#Cc1ccc(-c2ccc(C(F)(F)F)c(F)c2)cc1
Standard InChI: InChI=1S/C14H7F4N/c15-13-7-11(5-6-12(13)14(16,17)18)10-3-1-9(8-19)2-4-10/h1-7H
Standard InChI Key: GGTNFQNNBXFPBX-UHFFFAOYSA-N
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| 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 |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| Molecular Weight: 265.21 | Molecular Weight (Monoisotopic): 265.0515 | AlogP: 4.38 | #Rotatable Bonds: 1 |
| Polar Surface Area: 23.79 | Molecular Species: ┄ | HBA: 1 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 1 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: 4.50 | CX LogD: 4.50 |
| Aromatic Rings: 2 | Heavy Atoms: 19 | QED Weighted: 0.70 | Np Likeness Score: -1.30 |
| 1. Matsuno K, Sawada J, Sugimoto M, Ogo N, Asai A.. (2009) Bis(hetero)aryl derivatives as unique kinesin spindle protein inhibitors., 19 (4): [PMID:19167222] [10.1016/j.bmcl.2009.01.018] |
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