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Ligand

NameCHEMBL199443
Molecular formulaC25H28N6OS
IUPAC name11-methyl-4-[2-(4-quinolin-8-ylpiperazin-1-yl)ethyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Molecular weight460.6
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP2.7
SynonymsBDBM50175479
7-methyl-3-[2-(4-quinolin-8-yl-piperazin-1-yl)-ethyl]-5,6,7,8-tetrahydro-3H-pyrido[4'',3'':4,5]thieno[2,3-d]pyrimidin-4-one
Inchi KeyATBLUNCHMMWNHV-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H28N6OS/c1-28-9-7-19-21(16-28)33-24-22(19)25(32)31(17-27-24)15-12-29-10-13-30(14-11-29)20-6-2-4-18-5-3-8-26-23(18)20/h2-6,8,17H,7,9-16H2,1H3
PubChem CID9868889
ChEMBLCHEMBL199443
IUPHARN/A
BindingDB50175479
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
137945-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
137935-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390

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