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Ligand

NameCHEMBL2037519
Molecular formulaC19H21N5OS
IUPAC name1-(1,3-benzothiazol-2-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one
Molecular weight367.471
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP2.9
SynonymsBDBM50384960
Inchi KeyITMQGDDPFZOVDW-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H21N5OS/c25-16(18-22-15-5-1-2-7-17(15)26-18)6-3-10-23-11-13-24(14-12-23)19-20-8-4-9-21-19/h1-2,4-5,7-9H,3,6,10-14H2
PubChem CID60165543
ChEMBLCHEMBL2037519
IUPHARN/A
BindingDB50384960
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1414555-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
1414545-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
1414535-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
141452D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
141456D(4) dopamine receptorP30729Drd4Rattus norvegicus (Rat)387

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