CHEMBL5405038


SMILES C[C@@H]1NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O
InChIKey CDHOQEHTFUNKKJ-DKXGLPMMSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 12
Rotatable bonds 12
Molecular weight (Da) 964.4

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pKi 7.25 8.1 8.95 ChEMBL
MC3 MC3R Human Melanocortin A pKi 6.29 6.7 7.1 ChEMBL
MC4 MC4R Human Melanocortin A pKi 8.52 9.25 9.99 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 7.2 8.0 8.8 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 5.9 6.3 6.7 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 7.7 8.35 9.0 ChEMBL