Brief Information of the Compound and Protein
Compound Name
N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(3-methyl-6-oxo-1H-pyridazin-5-yl)piperidine-1-carboxamide
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PubChem ID
CID: 45487036
Canonical SMILES
Cc1cc(C2CCN(CC2)C(=O)N[C@@H]2CC[C@H](CN(CC(F)(F)F)C2=O)c2cccc(F)c2F)c(=O)[nH]n1
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Compound Formula C25H28F5N5O3
Compound Structure
Protein Name
Calcitonin gene-related peptide type 1 receptor
Protein Classification
Membrane receptor
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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 = 13 nM
   TI
   LI
   LO
   TS
2
IC50 = 21 nM
   TI
   LI
   LO
   TS
3
Ki = 6.6 nM
   TI
   LI
   LO
   TS