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Ligand

NameCHEMBL3401470
Molecular formulaC22H28N4OS
IUPAC name5,6-dimethyl-2-[4-(4-phenylpiperazin-1-yl)butyl]-3H-thieno[2,3-d]pyrimidin-4-one
Molecular weight396.553
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.7
SynonymsBDBM50066021
Inchi KeyAXGYSYZIFFKCAU-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H28N4OS/c1-16-17(2)28-22-20(16)21(27)23-19(24-22)10-6-7-11-25-12-14-26(15-13-25)18-8-4-3-5-9-18/h3-5,8-9H,6-7,10-15H2,1-2H3,(H,23,24,27)
PubChem CID118728507
ChEMBLCHEMBL3401470
IUPHARN/A
BindingDB50066021
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4423175-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
4423165-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479

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