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Ligand

NameCHEMBL474302
Molecular formulaC30H25F3N2O
IUPAC nameN-[(2S)-2-anilino-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide
Molecular weight486.538
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP7.7
Synonyms(S)-6-methyl-N-(2-(phenylamino)-2,3-dihydro-1H-inden-5-yl)-4''-(trifluoromethyl)biphenyl-2-carboxamide
BDBM50277296
BJLHXLVEGNRDCK-SANMLTNESA-N
SCHEMBL13591616
6-Methyl-4'-trifluoromethyl-biphenyl-2-carboxylic acid ((S)-2-phenylamino-indan-5-yl)-amide
Inchi KeyBJLHXLVEGNRDCK-SANMLTNESA-N
Inchi IDInChI=1S/C30H25F3N2O/c1-19-6-5-9-27(28(19)20-10-13-23(14-11-20)30(31,32)33)29(36)35-25-15-12-21-16-26(18-22(21)17-25)34-24-7-3-2-4-8-24/h2-15,17,26,34H,16,18H2,1H3,(H,35,36)/t26-/m0/s1
PubChem CID44591347
ChEMBLCHEMBL474302
IUPHARN/A
BindingDB50277296
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
25253Smoothened homologQ99835SMOHomo sapiens (Human)787
25254Smoothened homologP56726SmoMus musculus (Mouse)793

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