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
SMILES / InChI / InChIKey
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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
InChI Key XCTYLCDETUVOIP-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1961))
Withdrawn drug? Yes
IUPAC Name Click here for help
2-(ethylsulfanyl)-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine
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
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Wikipedia Thiethylperazine