thiethylperazine   Click here for help

GtoPdb Ligand ID: 7306

Synonyms: GS-95 | Torecan®
Approved drug
thiethylperazine is an approved drug (FDA (1961))
Compound class: Synthetic organic
Comment: Thiethylperazine is a phenothiazine class antiemetic. Experiments in a mouse model suggest it may have potential to clear amyloid-β (Aβ) load in Alzheimer's disease [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 60.32
Molecular weight 399.18
XLogP 5.04
No. Lipinski's rules broken 1
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Canonical SMILES CCSc1ccc2c(c1)N(CCCN1CCN(CC1)C)c1c(S2)cccc1
Isomeric SMILES CCSc1ccc2c(c1)N(CCCN1CCN(CC1)C)c1c(S2)cccc1
InChI InChI=1S/C22H29N3S2/c1-3-26-18-9-10-22-20(17-18)25(19-7-4-5-8-21(19)27-22)12-6-11-24-15-13-23(2)14-16-24/h4-5,7-10,17H,3,6,11-16H2,1-2H3
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1961))
Withdrawn drug? Yes
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
1034 thiethylperazine
Synonyms Click here for help
GS-95 | Torecan®
Database Links Click here for help
CAS Registry No. 1420-55-9
ChEMBL Ligand CHEMBL1378
DrugBank Ligand DB00372
DrugCentral Ligand 2630
GtoPdb PubChem SID 178103879
PubChem CID 5440
Search Google for chemical match using the InChIKey XCTYLCDETUVOIP-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey XCTYLCDETUVOIP-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey XCTYLCDETUVOIP-UHFFFAOYSA-N
Wikipedia Thiethylperazine