Brief Information of the Compound and Protein
Compound Name
N-[2-[4-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]piperazin-1-yl]-2-cyclohexylethyl]-N-propan-2-ylpyridazine-3-carboxamide
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PubChem ID
CID: 49862375
Canonical SMILES
CC(C)N(CC(C1CCCCC1)N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C)C(=O)c1cccnn1
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Compound Formula C35H50F2N6O2
Compound Structure
Protein Name
Melanocyte-stimulating hormone receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Peptide receptor (family A GPCR)
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Short peptide receptor (family A GPCR)
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Melanocortin receptor
Uniprot ID
Q01726
Gene Name
MC1R
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
EC50 = 1200 nM
   TI
   LI
   LO
   TS
2
IC50 = 1900 nM
   TI
   LI
   LO
   TS