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Ligand

NameCHEMBL252031
Molecular formulaC25H30N4OS
IUPAC nameN-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-inden-1-yl]propanamide
Molecular weight434.602
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.6
SynonymsBDBM50231441
N-(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-2,3-dihydro-1H-inden-1-yl)propionamide
Inchi KeyBNPYZAAZLNWAPS-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H30N4OS/c1-2-24(30)26-22-10-8-19-17-18(7-9-20(19)22)11-12-28-13-15-29(16-14-28)25-21-5-3-4-6-23(21)31-27-25/h3-7,9,17,22H,2,8,10-16H2,1H3,(H,26,30)
PubChem CID44447063
ChEMBLCHEMBL252031
IUPHARN/A
BindingDB50231441
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
283225-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
283245-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
28323Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
28321D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443

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