CHEMBL89004


SMILES N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
InChIKey VLXDEFRTAJLNNA-CUPIEXAXSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 10
Rotatable bonds 20
Molecular weight (Da) 761.4

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 7.76 7.76 7.76 ChEMBL
MC3 MC3R Human Melanocortin A pKi 7.18 7.18 7.18 ChEMBL
MC4 MC4R Human Melanocortin A pKi 7.0 7.0 7.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 8.7 8.7 8.7 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 7.55 7.55 7.55 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 7.89 7.89 7.89 ChEMBL