ID: ALA229158
Chembl Id: CHEMBL229158
Cas Number: 15260-65-8
PubChem CID: 139919
Max Phase: Preclinical
Molecular Formula: C13H11N
Molecular Weight: 181.24
Molecule Type: Small molecule
Associated Items:
Synonyms: 2'-(1-Phenylvinyl)Pyridine | 2-(1-Phenylethenyl)pyridine|15260-65-8|Pyridine,2-(1-phenylethenyl)-|2'-(1-phenylvinyl)pyridine|2-(1-Phenylvinyl)pyridine #|CHEMBL229158|SCHEMBL10824241|DTXSID60165083|1-Phenyl-1-(2-pyridyl)ethylene|WLFQFTSISRWCNV-UHFFFAOYSA-N
Canonical SMILES: C=C(c1ccccc1)c1ccccn1
Standard InChI: InChI=1S/C13H11N/c1-11(12-7-3-2-4-8-12)13-9-5-6-10-14-13/h2-10H,1H2
Standard InChI Key: WLFQFTSISRWCNV-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: 181.24 | Molecular Weight (Monoisotopic): 181.0891 | AlogP: 3.14 | #Rotatable Bonds: 2 |
| Polar Surface Area: 12.89 | Molecular Species: NEUTRAL | HBA: 1 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 1 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: 4.05 | CX LogP: 3.31 | CX LogD: 3.31 |
| Aromatic Rings: 2 | Heavy Atoms: 14 | QED Weighted: 0.69 | Np Likeness Score: -0.53 |
| 1. Rennison D, Bova S, Cavalli M, Ricchelli F, Zulian A, Hopkins B, Brimble MA.. (2007) Synthesis and activity studies of analogues of the rat selective toxicant norbormide., 15 (8): [PMID:17321141] [10.1016/j.bmc.2007.02.012] |
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