CHEMBL209789


SMILES CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N
InChIKey HTSRDLNRKNCSLJ-XFBWMNOSSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 5
Rotatable bonds 16
Molecular weight (Da) 643.3

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
MC1 MSHR Human Melanocortin A pKi 7.46 7.46 7.46 ChEMBL
MC3 MC3R Human Melanocortin A pKi 7.3 7.3 7.3 ChEMBL
MC4 MC4R Human Melanocortin A pKi 7.75 7.75 7.75 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 7.35 7.35 7.35 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 7.38 7.38 7.38 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 8.37 8.37 8.37 ChEMBL