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Ligand

NameCHEMBL239596
Molecular formulaC25H29ClN4O2
IUPAC name5-(4-chlorophenyl)-3-[[3-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-yl]oxymethyl]-1,2,4-oxadiazole
Molecular weight452.983
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.8
SynonymsBDBM50203567
1-(6-((5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl)methoxy)-2,3-dihydro-1H-inden-1-yl)-4-isopropylpiperazine
Inchi KeyBEXPSWDCLXOHKK-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H29ClN4O2/c1-17(2)29-11-13-30(14-12-29)23-10-6-18-5-9-21(15-22(18)23)31-16-24-27-25(32-28-24)19-3-7-20(26)8-4-19/h3-5,7-9,15,17,23H,6,10-14,16H2,1-2H3
PubChem CID44438461
ChEMBLCHEMBL239596
IUPHARN/A
BindingDB50203567
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
220225-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390

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