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Ligand

NameCHEMBL2037520
Molecular formulaC24H25ClN4O2S
IUPAC name3-[1-[5-(1,3-benzothiazol-2-yl)-5-oxopentyl]piperidin-4-yl]-6-chloro-1H-benzimidazol-2-one
Molecular weight469.0
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.8
SynonymsBDBM50384961
Inchi KeyCWYDVWDIVIJIOS-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H25ClN4O2S/c25-16-8-9-20-19(15-16)27-24(31)29(20)17-10-13-28(14-11-17)12-4-3-6-21(30)23-26-18-5-1-2-7-22(18)32-23/h1-2,5,7-9,15,17H,3-4,6,10-14H2,(H,27,31)
PubChem CID60167451
ChEMBLCHEMBL2037520
IUPHARN/A
BindingDB50384961
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: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
525505-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
525475-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
525465-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
52548D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
523066D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
52549D(4) dopamine receptorP30729Drd4Rattus norvegicus (Rat)387
523065D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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