CHEMBL413465


SMILES C[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NN)CC(=O)NC(C(=O)NN[C@H](Cc2ccc(O)cc2)C(=O)C(=O)O)NC(=O)C(=O)[C@@H](Cc2ccccc2)NC1=O
InChIKey XEZOOYRFZJZPBS-AGAQULSSSA-N

Chemical properties

Hydrogen bond acceptors 20
Hydrogen bond donors 20
Rotatable bonds 24
Molecular weight (Da) 1420.6

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Mouse Melanocortin A pEC50 4.87 4.87 4.87 ChEMBL
MC4 MC4R Mouse Melanocortin A pEC50 4.8 4.8 4.8 ChEMBL
MC4 MC4R Mouse Melanocortin A pIC50 4.99 5.06 5.14 ChEMBL