CHEMBL122773


SMILES CCC1CC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(N)=O)CCCCNC1=O
InChIKey XFQWSJOXRAVFGY-YQEGVIHVSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 9
Rotatable bonds 10
Molecular weight (Da) 794.4

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC5 MC5R Human Melanocortin A pKi 6.4 6.62 6.85 ChEMBL
MC3 MC3R Human Melanocortin A pKi 6.62 6.77 6.92 ChEMBL
MC4 MC4R Human Melanocortin A pKi 8.82 9.03 9.24 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC5 MC5R Human Melanocortin A pEC50 6.62 6.64 6.66 ChEMBL