Brief Information of the Compound and Protein
Compound Name
2-((S)-5-methyl-4-oxo-2a,3,4,5-tetrahydropyrrolo[4,3,2-de]quinolin-1(2H)-yl)-N-((S)-2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
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PubChem ID
CID: 45273525
Canonical SMILES
CN1C(=O)C[C@@H]2CN(CC(=O)Nc3ccc4C[C@@]5(Cc4c3)C(=O)Nc3ncccc53)c3cccc1c23
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Compound Formula C28H25N5O3
Compound Structure
Protein Name
Calcitonin gene-related peptide type 1 receptor
Protein Classification
Membrane receptor
>
Family B G protein-coupled receptor
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Peptide receptor (family B GPCR)
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Calcitonin-like receptor
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Calcitonin gene-related peptide receptor
Uniprot ID
Q16602
Gene Name
CALCRL
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  3
1
IC50 = 37 nM
   TI
   LI
   LO
   TS
2
IC50 = 530 nM
   TI
   LI
   LO
   TS
3
Ki = 9.7 nM
   TI
   LI
   LO
   TS