CHEMBL209587


SMILES NC(N)=NCCNC(=O)[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1c[nH]cn1
InChIKey DNDWQJKQEQLRTQ-GOGZTAQTSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 6
Rotatable bonds 14
Molecular weight (Da) 639.3

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 7.82 7.82 7.82 ChEMBL
MC3 MC3R Human Melanocortin A pKi 6.15 6.15 6.15 ChEMBL
MC4 MC4R Human Melanocortin A pKi 6.12 6.12 6.12 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 7.62 7.62 7.62 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 6.58 6.58 6.58 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 6.6 6.6 6.6 ChEMBL