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Ligand

NameCHEMBL3417114
Molecular formulaC29H32F3N3O
IUPAC name1-[[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]amino]-2,3-dihydro-1H-indene-4-carbonitrile
Molecular weight495.59
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.4
SynonymsBDBM50077983
Inchi KeyAXHRCHHCHLDMOV-ZRNCVZAUSA-N
Inchi IDInChI=1S/C29H32F3N3O/c1-18(2)28(27(36)35-13-11-19-6-7-22(29(30,31)32)14-21(19)17-35)12-10-23(15-28)34-26-9-8-24-20(16-33)4-3-5-25(24)26/h3-7,14,18,23,26,34H,8-13,15,17H2,1-2H3/t23-,26?,28+/m1/s1
PubChem CID118734575
ChEMBLCHEMBL3417114
IUPHARN/A
BindingDB50077983
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
442319C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374

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