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Ligand

NameCHEMBL230617
Molecular formulaC30H32F6N2O
IUPAC name(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-methyl-3-[(1S,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide
Molecular weight550.589
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP7.3
SynonymsBDBM50212141
(1S,3R)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-1-methyl-3-[(1S,5''R)-5''-methylspiro[indene-1,4''-piperidine]-1''-yl]cyclopentane-1-carboxamide
Inchi KeyUAKDPJAUOVRMIX-JVRHDVHHSA-N
Inchi IDInChI=1S/C30H32F6N2O/c1-19-18-38(12-11-28(19)10-7-21-5-3-4-6-25(21)28)24-8-9-27(2,16-24)26(39)37-17-20-13-22(29(31,32)33)15-23(14-20)30(34,35)36/h3-7,10,13-15,19,24H,8-9,11-12,16-18H2,1-2H3,(H,37,39)/t19-,24+,27-,28+/m0/s1
PubChem CID44425630
ChEMBLCHEMBL230617
IUPHARN/A
BindingDB50212141
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
331943C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374
331944C-C chemokine receptor type 2P51683Ccr2Mus musculus (Mouse)373

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