CHEMBL3577987


SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
InChIKey MCWLVPXLYJOXFN-JHQNEBCVSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 10
Rotatable bonds 12
Molecular weight (Da) 1026.5

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC3 MC3R Mouse Melanocortin A pKd 6.0 6.0 6.0 ChEMBL
MC3 MC3R Mouse Melanocortin A pKi 6.0 6.0 6.0 ChEMBL
MC4 MC4R Mouse Melanocortin A pKd 7.0 7.0 7.0 ChEMBL
MC4 MC4R Mouse Melanocortin A pKi 7.0 7.0 7.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Mouse Melanocortin A pEC50 5.06 5.06 5.06 ChEMBL