CHEMBL211699


SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O
InChIKey KXPKJVIQPPHENQ-IHZBLBIESA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 8
Rotatable bonds 18
Molecular weight (Da) 710.4

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 7.89 7.89 7.89 ChEMBL
MC3 MC3R Human Melanocortin A pKi 5.92 5.92 5.92 ChEMBL
MC4 MC4R Human Melanocortin A pKi 7.54 7.54 7.54 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 7.85 7.85 7.85 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 6.27 6.27 6.27 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 8.24 8.24 8.24 ChEMBL