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Ligand

NameCHEMBL389610
Molecular formulaC30H34F4N2O2
IUPAC nameN-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(methoxymethyl)-3-[(1S,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide
Molecular weight530.608
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.8
SynonymsBDBM50212125
N-{[3-fluoro-5-(trifluoromethyl)phenyl]methyl}-1-(methoxymethyl)-3-[(1S,5''R)-5''-methylspiro[indene-1,4''-piperidine]-1''-yl]cyclopentane-1-carboxamide
Inchi KeyPBLHODZBJXXWDD-FYZPOUGESA-N
Inchi IDInChI=1S/C30H34F4N2O2/c1-20-18-36(12-11-29(20)10-7-22-5-3-4-6-26(22)29)25-8-9-28(16-25,19-38-2)27(37)35-17-21-13-23(30(32,33)34)15-24(31)14-21/h3-7,10,13-15,20,25H,8-9,11-12,16-19H2,1-2H3,(H,35,37)/t20-,25?,28?,29+/m0/s1
PubChem CID44425651
ChEMBLCHEMBL389610
IUPHARN/A
BindingDB50212125
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
255695C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374
255696C-C chemokine receptor type 2P51683Ccr2Mus musculus (Mouse)373

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