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Ligand

NameCHEMBL234005
Molecular formulaC25H33N3O2S
IUPAC name2-cyclohexyl-N-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]-2-thiophen-3-ylacetamide
Molecular weight439.618
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.5
SynonymsBDBM50423067
Inchi KeyMDTOMNUAYIKKBL-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H33N3O2S/c29-23(9-8-19-5-4-13-26-17-19)28-14-10-22(11-15-28)27-25(30)24(21-12-16-31-18-21)20-6-2-1-3-7-20/h4-5,12-13,16-18,20,22,24H,1-3,6-11,14-15H2,(H,27,30)
PubChem CID44431783
ChEMBLCHEMBL234005
IUPHARN/A
BindingDB50423067
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
203013C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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