chlorprothixene   Click here for help

GtoPdb Ligand ID: 11976

Synonyms: N-714 | Ro-4-0403 | Taractan® | Truxal®
Approved drug
chlorprothixene is an approved drug
Compound class: Synthetic organic
Comment: Chlorprothixene can be classified as a (tricyclic) typical antipsychotic drug. The INN record stipulates the (Z) conformer. Mechanistically it acts at multiple GPCRs to mediate its neurological effects. Direct interactions with 5-HT2, dopamine D1, D2, D3, histamine H1, muscarinic and α1 adrenergic receptors have been demonstrated.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 28.54
Molecular weight 315.08
XLogP 5.19
No. Lipinski's rules broken 1
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Canonical SMILES CN(CC/C=C\1/c2ccccc2Sc2c1cc(Cl)cc2)C
Isomeric SMILES CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl
InChI InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/b14-7-
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
886 chlorprothixene
Synonyms Click here for help
N-714 | Ro-4-0403 | Taractan® | Truxal®
Database Links Click here for help
Specialist databases
GPCRdb Ligand chlorprothixene
Other databases
BindingDB Ligand 50240514
CAS Registry No. 113-59-7 (source: PubChem)
DrugBank Ligand DB01239
GtoPdb PubChem SID 464244117
PubChem CID 667467
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UniChem Compound Search for chemical match using the InChIKey WSPOMRSOLSGNFJ-AUWJEWJLSA-N
UniChem Connectivity Search for chemical match using the InChIKey WSPOMRSOLSGNFJ-AUWJEWJLSA-N