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Ligand

NameCHEMBL196961
Molecular formulaC29H33N5O2S
IUPAC name4-[2-[4-(2-methoxy-5-phenylphenyl)piperazin-1-yl]ethyl]-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Molecular weight515.676
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.0
SynonymsBDBM50175466
3-{2-[4-(4-methoxy-biphenyl-3-yl)-piperazin-1-yl]-ethyl}-7-methyl-5,6,7,8-tetrahydro-3H-pyrido[4'',3'':4,5]thieno[2,3-d]pyrimidin-4-one
Inchi KeyAECCHTQUIJEKGQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H33N5O2S/c1-31-11-10-23-26(19-31)37-28-27(23)29(35)34(20-30-28)17-14-32-12-15-33(16-13-32)24-18-22(8-9-25(24)36-2)21-6-4-3-5-7-21/h3-9,18,20H,10-17,19H2,1-2H3
PubChem CID22464806
ChEMBLCHEMBL196961
IUPHARN/A
BindingDB50175466
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
33305-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
33315-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390

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