pimozide   Click here for help

GtoPdb Ligand ID: 90

Synonyms: haldol decanoate | Orap® | R-6238
Approved drug PDB Ligand
pimozide is an approved drug (FDA (1984))
Compound class: Synthetic organic
Comment: Pimozide is a typical antipsychotic drug.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 41.03
Molecular weight 461.23
XLogP 5.61
No. Lipinski's rules broken 1
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Canonical SMILES Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
Isomeric SMILES Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
InChI InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)
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Summary of Clinical Use Click here for help
Used to treat schizophrenia, and may be effective for the suppression of motor and phonic tics in patients with Tourette's Disorder who have failed to respond to standard treatments.
Mechanism Of Action and Pharmacodynamic Effects Click here for help
Inhibition of dopamine D2 receptors in the CNS is thought to be responsible for the suppression of tics in Tourette's Disorder.
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