CHEMBL3798912


SMILES N=C(N)NCCC[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COCC(=O)NCCCOCCOCCOCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
InChIKey CVDQYXOEEAGKLB-HPYHLGIWSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 12
Rotatable bonds 35
Molecular weight (Da) 1011.5

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
MC3 MC3R Mouse Melanocortin A pKd 6.07 6.07 6.07 ChEMBL
MC4 MC4R Mouse Melanocortin A pKd 7.97 7.97 7.97 ChEMBL
MC4 MC4R Human Melanocortin A pKd 7.87 7.87 7.87 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Mouse Melanocortin A pIC50 5.73 5.73 5.73 ChEMBL
MC1 MSHR Mouse Melanocortin A pEC50 6.86 6.86 6.86 ChEMBL
MC3 MC3R Mouse Melanocortin A pIC50 6.0 6.0 6.0 ChEMBL
MC4 MC4R Mouse Melanocortin A pIC50 7.66 7.66 7.66 ChEMBL