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Ligand

NameCHEMBL2023578
Molecular formulaC27H34N2O4
IUPAC name4-[[[1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]methyl]benzoic acid
Molecular weight450.579
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP5.7
SynonymsBDBM50382738
Inchi KeyAGLJBZAGIPLHTK-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H34N2O4/c30-25(28-17-19-12-14-21(15-13-19)27(32)33)23-16-22-10-6-1-2-7-11-24(22)29(26(23)31)18-20-8-4-3-5-9-20/h12-16,20H,1-11,17-18H2,(H,28,30)(H,32,33)
PubChem CID70696133
ChEMBLCHEMBL2023578
IUPHARN/A
BindingDB50382738
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
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GLASS IDNameUniProtGeneSpeciesLength
4991Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360

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