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Ligand

NameCHEMBL3589952
Molecular formulaC29H32F6N2O2
IUPAC nameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-cyclopropyl-4-spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-ylbutanamide
Molecular weight554.577
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP6.0
SynonymsBDBM50097901
N-[3,5-Bis(trifluoromethyl)benzyl]-2-cyclopropyl-4-(3,4-dihydrospiro[1H-2-benzopyran-1,4'-piperidine]-1'-yl)butanamide
Inchi KeyYKBMRTZYUFOORD-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H32F6N2O2/c30-28(31,32)22-15-19(16-23(17-22)29(33,34)35)18-36-26(38)24(20-5-6-20)7-11-37-12-9-27(10-13-37)25-4-2-1-3-21(25)8-14-39-27/h1-4,15-17,20,24H,5-14,18H2,(H,36,38)
PubChem CID122181238
ChEMBLCHEMBL3589952
IUPHARN/A
BindingDB50097901
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
513744C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374
513745C-C chemokine receptor type 2P51683Ccr2Mus musculus (Mouse)373

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