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Ligand

NameCHEMBL110188
Molecular formulaC17H29N3O2
IUPAC name1-cyclohexyl-8-methyl-3-(2-oxopropyl)-1,3,8-triazaspiro[4.5]decan-4-one
Molecular weight307.438
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP1.6
SynonymsBDBM50052512
1-Cyclohexyl-8-methyl-3-(2-oxo-propyl)-1,3,8-triaza-spiro[4.5]decan-4-one
Inchi KeyBYEAJQDVLRJCFO-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H29N3O2/c1-14(21)12-19-13-20(15-6-4-3-5-7-15)17(16(19)22)8-10-18(2)11-9-17/h15H,3-13H2,1-2H3
PubChem CID44337490
ChEMBLCHEMBL110188
IUPHARN/A
BindingDB50052512
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
35709B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391

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