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Ligand

NameCHEMBL3400270
Molecular formulaC29H31F3N2O2
IUPAC name(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-phenyl-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]cyclopropane-1-carboxamide
Molecular weight496.574
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP6.7
SynonymsBDBM50065971
Inchi KeyCJBOMVJKWSPOJY-NEEDMVDMSA-N
Inchi IDInChI=1S/C29H31F3N2O2/c1-3-19(2)27(33)18-34(28(35)26-17-25(26)22-7-5-4-6-8-22)23-13-9-20(10-14-23)21-11-15-24(16-12-21)36-29(30,31)32/h4-16,19,25-27H,3,17-18,33H2,1-2H3/t19-,25-,26+,27+/m0/s1
PubChem CID118727679
ChEMBLCHEMBL3400270
IUPHARN/A
BindingDB50065971
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
443395Probable G-protein coupled receptor 88Q9GZN0GPR88Homo sapiens (Human)384

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