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Ligand

NameCHEMBL488389
Molecular formulaC23H28ClN3O3
IUPAC nameN-[2-(4-chlorophenyl)ethyl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(methylamino)pyridine-3-carboxamide
Molecular weight429.945
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.5
SynonymsBDBM50275684
N-(4-chlorophenethyl)-2-(methylamino)-N-(1,4-dioxaspiro[4.5]decan-8-yl)nicotinamide
Inchi KeyDNHIEYRNACWBKM-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H28ClN3O3/c1-25-21-20(3-2-13-26-21)22(28)27(14-10-17-4-6-18(24)7-5-17)19-8-11-23(12-9-19)29-15-16-30-23/h2-7,13,19H,8-12,14-16H2,1H3,(H,25,26)
PubChem CID44589784
ChEMBLCHEMBL488389
IUPHARN/A
BindingDB50275684
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
64356C5a anaphylatoxin chemotactic receptor 1P21730C5AR1Homo sapiens (Human)350

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