CHEMBL3799408


SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(N)=O
InChIKey RXENDXVKKZXQPW-CSYVQODNSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 12
Rotatable bonds 36
Molecular weight (Da) 1053.5

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 6.14 6.14 6.14 ChEMBL
MC4 MC4R Mouse Melanocortin A pKd 8.39 8.39 8.39 ChEMBL
MC4 MC4R Human Melanocortin A pKd 8.12 8.12 8.12 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Mouse Melanocortin A pIC50 6.0 6.0 6.0 ChEMBL
MC1 MSHR Mouse Melanocortin A pEC50 6.95 6.95 6.95 ChEMBL
MC3 MC3R Mouse Melanocortin A pIC50 5.88 5.88 5.88 ChEMBL
MC4 MC4R Mouse Melanocortin A pIC50 7.97 7.97 7.97 ChEMBL