CHEMBL442829


SMILES CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCN1
InChIKey RQHOEQDAYOKRHG-JVVMDBNWSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 11
Molecular weight (Da) 615.3

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 6.52 6.52 6.52 ChEMBL
MC3 MC3R Human Melanocortin A pKi 6.78 6.78 6.78 ChEMBL
MC4 MC4R Human Melanocortin A pKi 7.92 7.92 7.92 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 6.77 6.77 6.77 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 7.4 7.4 7.4 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 9.05 9.05 9.05 ChEMBL