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Ligand

NameCHEMBL473896
Molecular formulaC31H27F3N2O
IUPAC nameN-[(2S)-2-(benzylamino)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide
Molecular weight500.565
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP7.1
SynonymsBDBM50277258
(S)-N-(2-(benzylamino)-2,3-dihydro-1H-inden-5-yl)-6-methyl-4''-(trifluoromethyl)biphenyl-2-carboxamide
Inchi KeyCBSYYIOBMXSLKK-MHZLTWQESA-N
Inchi IDInChI=1S/C31H27F3N2O/c1-20-6-5-9-28(29(20)22-10-13-25(14-11-22)31(32,33)34)30(37)36-26-15-12-23-16-27(18-24(23)17-26)35-19-21-7-3-2-4-8-21/h2-15,17,27,35H,16,18-19H2,1H3,(H,36,37)/t27-/m0/s1
PubChem CID44591325
ChEMBLCHEMBL473896
IUPHARN/A
BindingDB50277258
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
38180Smoothened homologQ99835SMOHomo sapiens (Human)787
38181Smoothened homologP56726SmoMus musculus (Mouse)793

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