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Ligand

NameCHEMBL230405
Molecular formulaC34H38F6N2O
IUPAC name(1R,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(cyclobutylmethyl)-3-[(1S,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide
Molecular weight604.681
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP8.8
SynonymsBDBM50212124
(1R,3R)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-1-(cyclobutylmethyl)-3-[(1S,5''R)-5''-methylspiro[indene-1,4''-piperidine]-1''-yl]cyclopentane-1-carboxamide
Inchi KeyNYVVWKWXURQMLL-PSVFVGLHSA-N
Inchi IDInChI=1S/C34H38F6N2O/c1-22-21-42(14-13-32(22)12-9-25-7-2-3-8-29(25)32)28-10-11-31(19-28,18-23-5-4-6-23)30(43)41-20-24-15-26(33(35,36)37)17-27(16-24)34(38,39)40/h2-3,7-9,12,15-17,22-23,28H,4-6,10-11,13-14,18-21H2,1H3,(H,41,43)/t22-,28+,31+,32+/m0/s1
PubChem CID44425637
ChEMBLCHEMBL230405
IUPHARN/A
BindingDB50212124
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
235390C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374
235391C-C chemokine receptor type 2P51683Ccr2Mus musculus (Mouse)373

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