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Ligand

NameCHEMBL230832
Molecular formulaC31H34F6N2OS
IUPAC name(1R,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(1S,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]-1-(methylsulfanylmethyl)cyclopentane-1-carboxamide
Molecular weight596.676
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP7.4
SynonymsBDBM50212130
(1R,3R)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-3-[(1S,5''R)-5''-methylspiro[indene-1,4''-piperidine]-1''-yl]-1-[(methylsulfanyl)methyl]cyclopentane-1-carboxamide
Inchi KeyQSNHVAXPYDEWER-DAORKYKSSA-N
Inchi IDInChI=1S/C31H34F6N2OS/c1-20-18-39(12-11-29(20)10-7-22-5-3-4-6-26(22)29)25-8-9-28(16-25,19-41-2)27(40)38-17-21-13-23(30(32,33)34)15-24(14-21)31(35,36)37/h3-7,10,13-15,20,25H,8-9,11-12,16-19H2,1-2H3,(H,38,40)/t20-,25+,28-,29+/m0/s1
PubChem CID44425641
ChEMBLCHEMBL230832
IUPHARN/A
BindingDB50212130
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
285843C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374
285844C-C chemokine receptor type 2P51683Ccr2Mus musculus (Mouse)373

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