CHEMBL313377


SMILES CC(C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
InChIKey LWRUHFMBKCOVAZ-KRCBVYEFSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 9
Rotatable bonds 19
Molecular weight (Da) 713.4

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 7.4 7.4 7.4 ChEMBL
MC3 MC3R Human Melanocortin A pKi 6.55 6.55 6.55 ChEMBL
MC4 MC4R Human Melanocortin A pKi 7.01 7.01 7.01 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 8.15 8.15 8.15 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 6.89 6.89 6.89 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 7.62 7.62 7.62 ChEMBL