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Ligand

NameCHEMBL294730
Molecular formulaC22H27N3O2S
IUPAC name6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-1,3-benzothiazol-2-one
Molecular weight397.537
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.1
SynonymsSCHEMBL7761659
BDBM50064583
3-Methyl-6-[3-[4-(2-methoxyphenyl)piperazino]propyl]benzothiazole-2(3H)-one
6-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}-3-methyl-3H-benzothiazol-2-one
Inchi KeyHQRJJQDPSVJHQO-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H27N3O2S/c1-23-19-10-9-17(16-21(19)28-22(23)26)6-5-11-24-12-14-25(15-13-24)18-7-3-4-8-20(18)27-2/h3-4,7-10,16H,5-6,11-15H2,1-2H3
PubChem CID10644514
ChEMBLCHEMBL294730
IUPHARN/A
BindingDB50064583
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1216675-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
1216705-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
1216715-hydroxytryptamine receptor 2AQ75Z89HTR2ABos taurus (Bovine)470
1216695-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
121672Alpha-1A adrenergic receptorP18130ADRA1ABos taurus (Bovine)466
121668D(2) dopamine receptorP20288DRD2Bos taurus (Bovine)444

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