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Ligand

NameCHEMBL230721
Molecular formulaC32H36F6N2O
IUPAC name(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(1S,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]-1-propan-2-ylcyclopentane-1-carboxamide
Molecular weight578.643
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP8.1
SynonymsBDBM50212145
(1S,3R)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-3-[(1S,5''R)-5''-methylspiro[indene-1,4''-piperidine]-1''-yl]-1-(propan-2-yl)cyclopentane-1-carboxamide
Inchi KeyFWCVWNSKPMLGCW-KAXVLVORSA-N
Inchi IDInChI=1S/C32H36F6N2O/c1-20(2)30(28(41)39-18-22-14-24(31(33,34)35)16-25(15-22)32(36,37)38)11-9-26(17-30)40-13-12-29(21(3)19-40)10-8-23-6-4-5-7-27(23)29/h4-8,10,14-16,20-21,26H,9,11-13,17-19H2,1-3H3,(H,39,41)/t21-,26+,29+,30-/m0/s1
PubChem CID44425633
ChEMBLCHEMBL230721
IUPHARN/A
BindingDB50212145
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
88756C-C chemokine receptor type 2P51683Ccr2Mus musculus (Mouse)373
88757C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374

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