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Ligand

NameCHEMBL489412
Molecular formulaC23H29ClN4O5
IUPAC name2-[4-[[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate
Molecular weight476.958
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP2.9
SynonymsN/A
Inchi KeyAICYJQTUJDSUTM-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H29ClN4O5/c1-14-3-4-16(22(30)27-14)21(29)26-13-15-5-7-28(8-6-15)9-10-33-23(31)17-11-18(24)19(25)12-20(17)32-2/h3-4,11-12,15H,5-10,13,25H2,1-2H3,(H,26,29)(H,27,30)
PubChem CID42625659
ChEMBLCHEMBL489412
IUPHARN/A
BindingDBN/A
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
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GLASS IDNameUniProtGeneSpeciesLength
61105-hydroxytryptamine receptor 4Q13639HTR4Homo sapiens (Human)388

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