Brief Information of the Compound and Protein
Compound Name
2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine
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PubChem ID
CID: 135398745
SID: 14923451
Canonical SMILES
CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12
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Compound Formula C17H20N4S
Compound Structure
Protein Name
5-hydroxytryptamine receptor 2A
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
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Small molecule receptor (family A GPCR)
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Monoamine receptor
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Serotonin receptor
Uniprot ID
P28223
Gene Name
HTR2A
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000234 AU-BEK Bos taurus (Bovine)  2
1
IC50 = 9 nM
   TI
   LI
   LO
   TS
2
Ki = 4 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 1.585 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  3
1
Ki = 1.905 nM
   TI
   LI
   LO
   TS
2
Ki = 4 nM
   TI
   LI
   LO
   TS
3
Ki = 5.6 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  3
1
IC50 = 100 nM
   TI
   LI
   LO
   TS
2
Ki = 4.6 nM
   TI
   LI
   LO
   TS
3
Ki = 6.2 nM
   TI
   LI
   LO
   TS
CL000065 HEK293-EBNA Homo sapiens (Human)  1
1
Ki = 2.5 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 0.42 nM
2 Ki = 1.9 nM
3 Ki = 2.3 nM
4 Ki = 2.5 nM
5 Ki = 3.3 nM
6 Ki = 4 nM
7 Ki = 6.2 nM
8 Ki = 100 nM