Brief Information of the Compound and Protein
Compound Name
 Compound Info 
CAS_146714-97-8
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 PubChem ID
CID: 5684
SID: 14856089
Canonical SMILES
COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
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Compound Formula C25H34N4O2
Compound Structure
Protein Name
 Protein Info 
5-hydroxytryptamine receptor 1A
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Small molecule receptor (family A GPCR)
>
Monoamine receptor
>
Serotonin receptor
Uniprot ID
P08908
Gene Name
HTR1A
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  5
1
EC50 = 7.1 nM
   TI
   LI
   LO
   TS
2
IC50 = 7.1 nM
   TI
   LI
   LO
   TS
3
Ki = 0.5012 nM
   TI
   LI
   LO
   TS
4
Ki = 0.9 nM
   TI
   LI
   LO
   TS
5
Ki = 0.96 nM
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  2
1
IC50 = 11.3 nM
   TI
   LI
   LO
   TS
2
Ki = 2.2 nM
   TI
   LI
   LO
   TS
CL000065 HEK293-EBNA
 Cell Line Info 
Homo sapiens (Human)  2
1
IC50 = 0.91 nM
   TI
   LI
   LO
   TS
2
Ki = 0.39 nM
   TI
   LI
   LO
   TS
CL000017 HeLa
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 0.3311 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Kd = 0.2 nM
2 Ki = 0.1585 nM
3 Ki = 0.7943 nM
4 Ki = 2.2 nM