CHEMBL407825


SMILES CCC(=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 RLWOSGQNOKLOKP-DZUOILHNSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 9
Rotatable bonds 19
Molecular weight (Da) 699.4

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 7.32 7.32 7.32 ChEMBL
MC3 MC3R Human Melanocortin A pKi 6.27 6.27 6.27 ChEMBL
MC4 MC4R Human Melanocortin A pKi 6.8 6.8 6.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 8.12 8.12 8.12 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 6.35 6.35 6.35 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 7.42 7.42 7.42 ChEMBL