CHEMBL440633


SMILES C[C@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)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 BXPSHOXUOUAVOO-XLFZXRFMSA-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
MC5 MC5R Mouse Melanocortin A pEC50 5.41 5.41 5.41 ChEMBL
MC1 MSHR Mouse Melanocortin A pEC50 4.71 4.71 4.71 ChEMBL
MC4 MC4R Mouse Melanocortin A pEC50 4.87 4.87 4.87 ChEMBL
MC4 MC4R Mouse Melanocortin A pIC50 5.04 5.21 5.39 ChEMBL