CHEMBL327450


SMILES CSCC(=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 VDEUVZJQPRWULE-DZUOILHNSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 9
Rotatable bonds 20
Molecular weight (Da) 731.3

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 7.24 7.24 7.24 ChEMBL
MC3 MC3R Human Melanocortin A pKi 6.64 6.64 6.64 ChEMBL
MC4 MC4R Human Melanocortin A pKi 6.68 6.68 6.68 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 8.05 8.05 8.05 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 6.64 6.64 6.64 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 7.39 7.39 7.39 ChEMBL