Brief Information of the Compound and Protein
Compound Name
 Compound Info 
5-[[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-carbothioyl]amino]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid
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 PubChem ID
CID: 56961507
SID: 135675302
Canonical SMILES
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12
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Compound Formula C35H30N6O7S
Compound Structure
Protein Name
 Protein Info 
Alpha-1A adrenergic receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Small molecule receptor (family A GPCR)
>
Monoamine receptor
>
Adrenergic receptor
Uniprot ID
P35348
Gene Name
ADRA1A
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)  2
1
IC50 = 8.8 nM
   TI
   LI
   LO
   TS
2
Ki = 4.7 nM
   TI
   LI
   LO
   TS