CHEMBL380437


SMILES N=C(N)NCCC[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)[C@H](CC[C@H]1Cc2ccccc2CN1)Cc1ccccc1
InChIKey CCZXZVFJUFMBBA-NWAHQLIBSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 13
Molecular weight (Da) 567.4

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
MC1 MSHR Human Melanocortin A pKi 7.15 7.15 7.15 ChEMBL
MC3 MC3R Human Melanocortin A pKi 6.42 6.42 6.42 ChEMBL
MC4 MC4R Human Melanocortin A pKi 7.12 7.12 7.12 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC4 MC4R Human Melanocortin A pEC50 6.85 6.85 6.85 ChEMBL