CHEMBL88630


SMILES N#CCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
InChIKey ZDRWLGHFJFKMFH-DZUOILHNSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 10
Rotatable bonds 19
Molecular weight (Da) 710.3

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 7.06 7.06 7.06 ChEMBL
MC3 MC3R Human Melanocortin A pKi 6.46 6.46 6.46 ChEMBL
MC4 MC4R Human Melanocortin A pKi 6.96 6.96 6.96 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 8.1 8.1 8.1 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 6.8 6.8 6.8 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 7.75 7.75 7.75 ChEMBL