CHEMBL313690


SMILES N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O
InChIKey WHXFKYMOYNWTDU-LJVKMUTESA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 12
Rotatable bonds 11
Molecular weight (Da) 867.5

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 Human Melanocortin A pKi 5.51 5.51 5.51 ChEMBL
MC3 MC3R Human Melanocortin A pKi 6.96 6.96 6.96 ChEMBL
MC4 MC4R Human Melanocortin A pKi 6.17 6.17 6.17 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC3 MC3R Human Melanocortin A pEC50 7.12 7.12 7.12 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 7.3 7.3 7.3 ChEMBL