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
SMILES / InChI / InChIKey
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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
InChI Key CBHCDHNUZWWAPP-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
Withdrawn drug? Yes
IUPAC Name Click here for help
10-[(1-methylpiperidin-3-yl)methyl]phenothiazine
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
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