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Ligand

NameCHEMBL3417120
Molecular formulaC29H32F6N2O
IUPAC name[(1S,3R)-1-propan-2-yl-3-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]amino]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
Molecular weight538.578
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP6.5
SynonymsBDBM50077950
Inchi KeyAONRERQBBIHFMX-JBGVBMOJSA-N
Inchi IDInChI=1S/C29H32F6N2O/c1-17(2)27(26(38)37-12-10-18-3-5-21(28(30,31)32)14-20(18)16-37)11-9-23(15-27)36-25-8-4-19-13-22(29(33,34)35)6-7-24(19)25/h3,5-7,13-14,17,23,25,36H,4,8-12,15-16H2,1-2H3/t23-,25?,27+/m1/s1
PubChem CID118734580
ChEMBLCHEMBL3417120
IUPHARN/A
BindingDB50077950
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
442117C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374

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