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Ligand

NameCHEMBL514743
Molecular formulaC27H27ClN2O2S
IUPAC name2-(1-benzothiophen-3-yl)-5-[(4-chlorophenyl)methyl]-1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methylimidazole
Molecular weight479.035
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP6.3
Synonyms2-(benzo[b]thiophen-3-yl)-5-(4-chlorobenzyl)-4-methyl-1-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-imidazole
BDBM50266207
Inchi KeyCIWRQMNFWFPMGA-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H27ClN2O2S/c1-18-24(16-19-6-8-20(28)9-7-19)30(21-10-12-27(13-11-21)31-14-15-32-27)26(29-18)23-17-33-25-5-3-2-4-22(23)25/h2-9,17,21H,10-16H2,1H3
PubChem CID25110776
ChEMBLCHEMBL514743
IUPHARN/A
BindingDB50266207
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
43036C5a anaphylatoxin chemotactic receptor 1P21730C5AR1Homo sapiens (Human)350

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