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Ligand

NameCHEMBL3331258
Molecular formulaC22H27N3OS
IUPAC name3-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-1,3-benzothiazol-2-one
Molecular weight381.538
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.6
SynonymsBDBM50058325
Inchi KeyBCLIOOHWAWVISA-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H27N3OS/c1-18-8-2-3-9-19(18)24-16-14-23(15-17-24)12-6-7-13-25-20-10-4-5-11-21(20)27-22(25)26/h2-5,8-11H,6-7,12-17H2,1H3
PubChem CID118713589
ChEMBLCHEMBL3331258
IUPHARN/A
BindingDB50058325
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4424705-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
4424695-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479

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