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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameCHEMBL3818805
Molecular formulaC24H27ClN4O
IUPAC name6-chloro-3-[1-[4-(1H-indol-3-yl)butyl]piperidin-4-yl]-1H-benzimidazol-2-one
Molecular weight422.957
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP4.8
SynonymsBDBM50183073
Inchi KeyADUYXHYSTCIMEO-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H27ClN4O/c25-18-8-9-23-22(15-18)27-24(30)29(23)19-10-13-28(14-11-19)12-4-3-5-17-16-26-21-7-2-1-6-20(17)21/h1-2,6-9,15-16,19,26H,3-5,10-14H2,(H,27,30)
PubChem CID127052487
ChEMBLCHEMBL3818805
IUPHARN/A
BindingDB50183073
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: 9
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5215325-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
5215295-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
5215315-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
5215365-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
5215345-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
521530D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
521537D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
521535D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467
521533Histamine H1 receptorP35367HRH1Homo sapiens (Human)487

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