thioridazine   Click here for help

GtoPdb Ligand ID: 100

Synonyms: Mellaril® | thioridazin | TP-21
Approved drug
thioridazine is an approved drug (FDA (1962))
Compound class: Synthetic organic
Comment: Marketed formulations may contain thioridazine hydrochloride (PubChem CID 66062).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 57.08
Molecular weight 370.15
XLogP 5.94
No. Lipinski's rules broken 1
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Canonical SMILES CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1
Isomeric SMILES CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1
InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1962))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
818 thioridazine
Synonyms Click here for help
Mellaril® | thioridazin | TP-21
Database Links Click here for help
Specialist databases
Antibiotic DB Antibiotic DB Database logo Thioridazine
GPCRdb Ligand thioridazine
Other databases
BindingDB Ligand 50002338
CAS Registry No. 50-52-2 (source: Scifinder)
DrugBank Ligand DB00679
DrugCentral Ligand 2637
GtoPdb PubChem SID 135651259
PubChem CID 5452
Search Google for chemical match using the InChIKey KLBQZWRITKRQQV-UHFFFAOYSA-N
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Search PubMed clinical trials thioridazine
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UniChem Compound Search for chemical match using the InChIKey KLBQZWRITKRQQV-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey KLBQZWRITKRQQV-UHFFFAOYSA-N
Wikipedia Thioridazine