CHEMBL4566163


SMILES C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
InChIKey IABIXDUXGHDRKJ-MZPDUBGKSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 11
Rotatable bonds 11
Molecular weight (Da) 964.5

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
MC5 MC5R Mouse Melanocortin A pKd 6.5 6.5 6.5 ChEMBL
MC3 MC3R Mouse Melanocortin A pKd 6.5 6.5 6.5 ChEMBL
MC4 MC4R Mouse Melanocortin A pKd 7.3 7.3 7.3 ChEMBL
MC4 MC4R Human Melanocortin A pKd 7.5 7.5 7.5 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC5 MC5R Mouse Melanocortin A pIC50 4.44 4.44 4.44 ChEMBL
MC1 MSHR Mouse Melanocortin A pIC50 4.75 4.75 4.75 ChEMBL
MC3 MC3R Mouse Melanocortin A pIC50 4.55 4.55 4.55 ChEMBL
MC4 MC4R Mouse Melanocortin A pIC50 6.87 6.87 6.87 ChEMBL
MC4 MC4R Human Melanocortin A pIC50 5.99 5.99 5.99 ChEMBL