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Ligand

NameBDBM50295235
Molecular formulaC25H25F3N2OS
IUPAC name3-methyl-6-[2-(trifluoromethylsulfanyl)phenyl]spiro[6,6a,8,10-tetrahydro-5H-benzo[b][1,4]benzodiazepine-9,1'-cyclopentane]-7-one
Molecular weight458.543
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP6.7
Synonyms8''-methyl-11''-(2-(trifluoromethylthio)phenyl)-4'',5'',10'',11''-tetrahydrospiro[cyclopentane-1,3''-dibenzo[b,e][1,4]diazepin]-1''(2''H)-one
Inchi KeyIYJWWGCZTYVUBR-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H25F3N2OS/c1-15-8-9-17-18(12-15)30-23(16-6-2-3-7-21(16)32-25(26,27)28)22-19(29-17)13-24(14-20(22)31)10-4-5-11-24/h2-3,6-9,12,22-23,30H,4-5,10-11,13-14H2,1H3
PubChem CID91934306
ChEMBLN/A
IUPHARN/A
BindingDB50295235
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
144762Neuromedin-B receptorP28336NMBRHomo sapiens (Human)390

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