CHEMBL379508


SMILES CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N
InChIKey NSMUITYTUDRYSP-ISSPZXTRSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 5
Rotatable bonds 15
Molecular weight (Da) 652.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pKi 9.19 9.19 9.19 ChEMBL
MC3 MC3R Human Melanocortin A pKi 7.58 7.58 7.58 ChEMBL
MC4 MC4R Human Melanocortin A pKi 7.77 7.77 7.77 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 9.52 9.52 9.52 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 7.82 7.82 7.82 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 8.43 8.43 8.43 ChEMBL