thiothixene   Click here for help

GtoPdb Ligand ID: 212

Synonyms: Navane®
Approved drug
thiothixene is an approved drug (FDA (1967))
Compound class: Synthetic organic
Comment: Thiothixene is a thioxanthene class typical antipsychotic drug acting principally as a 5-HT2A receptor antagonist.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 77.54
Molecular weight 443.17
XLogP 3.29
No. Lipinski's rules broken 0
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Canonical SMILES CN1CCN(CC1)CCC=C1c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C
Isomeric SMILES CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C
InChI InChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3/b19-8-
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1967))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
2114 tiotixene
Synonyms Click here for help
Database Links Click here for help
Specialist databases
GPCRdb Ligand thiothixene
Other databases
CAS Registry No. 3313-26-6 (source: Scifinder)
ChEMBL Ligand CHEMBL1201
DrugBank Ligand DB01623
DrugCentral Ligand 2639
GtoPdb PubChem SID 135651260
PubChem CID 941651
Search Google for chemical match using the InChIKey GFBKORZTTCHDGY-UWVJOHFNSA-N
Search Google for chemicals with the same backbone GFBKORZTTCHDGY
Search PubMed clinical trials tiotixene
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Search PubMed titles/abstracts tiotixene
UniChem Compound Search for chemical match using the InChIKey GFBKORZTTCHDGY-UWVJOHFNSA-N
UniChem Connectivity Search for chemical match using the InChIKey GFBKORZTTCHDGY-UWVJOHFNSA-N
Wikipedia Thiothixene