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Ligand

NameCHEMBL266017
Molecular formulaC32H34F6N2O
IUPAC nameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-cyclopropyl-3-[(1S,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide
Molecular weight576.627
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP7.9
SynonymsBDBM50212135
N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-1-cyclopropyl-3-[(1S,5''R)-5''-methylspiro[indene-1,4''-piperidine]-1''-yl]cyclopentane-1-carboxamide
Inchi KeyPVVAQUKXSCGSNX-SBWCJTSWSA-N
Inchi IDInChI=1S/C32H34F6N2O/c1-20-19-40(13-12-29(20)10-8-22-4-2-3-5-27(22)29)26-9-11-30(17-26,23-6-7-23)28(41)39-18-21-14-24(31(33,34)35)16-25(15-21)32(36,37)38/h2-5,8,10,14-16,20,23,26H,6-7,9,11-13,17-19H2,1H3,(H,39,41)/t20-,26?,29+,30?/m0/s1
PubChem CID44425640
ChEMBLCHEMBL266017
IUPHARN/A
BindingDB50212135
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
270167C-C chemokine receptor type 2P51683Ccr2Mus musculus (Mouse)373
270168C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374

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