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Ligand

NameCHEMBL396030
Molecular formulaC27H32F3N3O2
IUPAC name2-cyclohexyl-N-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]-2-(3,4,5-trifluorophenyl)acetamide
Molecular weight487.567
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.1
SynonymsBDBM50423101
Inchi KeyKGVRKQKEMBCJOV-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H32F3N3O2/c28-22-15-20(16-23(29)26(22)30)25(19-6-2-1-3-7-19)27(35)32-21-10-13-33(14-11-21)24(34)9-8-18-5-4-12-31-17-18/h4-5,12,15-17,19,21,25H,1-3,6-11,13-14H2,(H,32,35)
PubChem CID44430549
ChEMBLCHEMBL396030
IUPHARN/A
BindingDB50423101
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
168855C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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