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Ligand

NameCHEMBL1289433
Molecular formulaC21H24ClN3O2
IUPAC name[9-[(4-chlorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyridin-3-ylmethanone
Molecular weight385.892
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP2.5
SynonymsBDBM50417461
Inchi KeyAQIDBTIRISFWQF-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H24ClN3O2/c22-19-5-3-17(4-6-19)15-24-10-7-21(8-11-24)16-25(12-13-27-21)20(26)18-2-1-9-23-14-18/h1-6,9,14H,7-8,10-13,15-16H2
PubChem CID52942930
ChEMBLCHEMBL1289433
IUPHARN/A
BindingDB50417461
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
11774Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590

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