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Ligand

NameCHEMBL59741
Molecular formulaC20H20F3N3OS
IUPAC name6-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3H-1,3-benzothiazol-2-one
Molecular weight407.455
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.5
SynonymsSCHEMBL8785701
BDBM50064573
L006673
6-{2-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-3H-benzothiazol-2-one
Inchi KeyDZKFKYARPPSLED-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H20F3N3OS/c21-20(22,23)15-2-1-3-16(13-15)26-10-8-25(9-11-26)7-6-14-4-5-17-18(12-14)28-19(27)24-17/h1-5,12-13H,6-11H2,(H,24,27)
PubChem CID10645076
ChEMBLCHEMBL59741
IUPHARN/A
BindingDB50064573
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
727405-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
727455-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
727425-hydroxytryptamine receptor 2AQ75Z89HTR2ABos taurus (Bovine)470
727445-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
72743Alpha-1A adrenergic receptorP18130ADRA1ABos taurus (Bovine)466
72741D(2) dopamine receptorP20288DRD2Bos taurus (Bovine)444

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