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Ligand

NameCHEMBL3589839
Molecular formulaC26H28F6N2O2
IUPAC nameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-ylbutanamide
Molecular weight514.512
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP4.9
SynonymsBDBM50097879
Inchi KeyLLKRKXJNMABFNP-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H28F6N2O2/c27-25(28,29)20-14-18(15-21(16-20)26(30,31)32)17-33-23(35)6-3-10-34-11-8-24(9-12-34)22-5-2-1-4-19(22)7-13-36-24/h1-2,4-5,14-16H,3,6-13,17H2,(H,33,35)
PubChem CID122181144
ChEMBLCHEMBL3589839
IUPHARN/A
BindingDB50097879
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
486481C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374
486482C-C chemokine receptor type 2P51683Ccr2Mus musculus (Mouse)373

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