pecazine   Click here for help

GtoPdb Ligand ID: 9782

Synonyms: mepazine | nothiazine | Pacatal
Approved drug Immunopharmacology Ligand
pecazine is an approved drug
Compound class: Synthetic organic
Comment: Pecazine is a phenothiazine derivative that was historically used as an antipsychotic/tranquillizer, but use has replaced by newer drugs. Pecazine is also an allosteric inhibitor of MALT1 protease activity [1]. It may be used experimentally as the acetate or hydrochloride.
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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 2
Topological polar surface area 31.78
Molecular weight 310.15
XLogP 4.68
No. Lipinski's rules broken 0
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Canonical SMILES CN1CCCC(C1)CN1c2ccccc2Sc2c1cccc2
Isomeric SMILES CN1CCCC(C1)CN1c2ccccc2Sc2c1cccc2
InChI InChI=1S/C19H22N2S/c1-20-12-6-7-15(13-20)14-21-16-8-2-4-10-18(16)22-19-11-5-3-9-17(19)21/h2-5,8-11,15H,6-7,12-14H2,1H3
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
Withdrawn drug? Yes
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
523 pecazine
Synonyms Click here for help
mepazine | nothiazine | Pacatal
Database Links Click here for help
BindingDB Ligand 50177661
ChEMBL Ligand CHEMBL395110
DrugCentral Ligand 1688
GtoPdb PubChem SID 354702255
PubChem CID 6075
Search Google for chemical match using the InChIKey CBHCDHNUZWWAPP-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey CBHCDHNUZWWAPP-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey CBHCDHNUZWWAPP-UHFFFAOYSA-N