LY 165,163   Click here for help

GtoPdb Ligand ID: 18

Synonyms: LY-165163 | PAPP
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 32.5
Molecular weight 349.18
XLogP 3.97
No. Lipinski's rules broken 0
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Canonical SMILES Nc1ccc(cc1)CCN1CCN(CC1)c1cccc(c1)C(F)(F)F
Isomeric SMILES Nc1ccc(cc1)CCN1CCN(CC1)c1cccc(c1)C(F)(F)F
InChI InChI=1S/C19H22F3N3/c20-19(21,22)16-2-1-3-18(14-16)25-12-10-24(11-13-25)9-8-15-4-6-17(23)7-5-15/h1-7,14H,8-13,23H2
1. Monsma Jr FJ, Shen Y, Ward RP, Hamblin MW, Sibley DR. (1993)
Cloning and expression of a novel serotonin receptor with high affinity for tricyclic psychotropic drugs.
Mol Pharmacol, 43 (3): 320-7. [PMID:7680751]
2. Newman-Tancredi A, Gavaudan S, Conte C, Chaput C, Touzard M, Verrièle L, Audinot V, Millan MJ. (1998)
Agonist and antagonist actions of antipsychotic agents at 5-HT1A receptors: a [35S]GTPgammaS binding study.
Eur J Pharmacol, 355 (2-3): 245-56. [PMID:9760039]