CHEMBL393576


SMILES CC(C)C[C@H](NCCN)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1
InChIKey CGANDSYNDFLFKG-RRPNLBNLSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 11
Molecular weight (Da) 591.3

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 Rat Melanocortin A pKi 6.62 6.62 6.62 ChEMBL
MC4 MC4R Rat Melanocortin A pKi 9.0 9.0 9.0 ChEMBL
MC3 MC3R Mouse Melanocortin A pKi 6.75 6.75 6.75 ChEMBL
MC4 MC4R Mouse Melanocortin A pKi 9.15 9.15 9.15 ChEMBL
MC5 MC5R Human Melanocortin A pKi 6.07 6.07 6.07 ChEMBL
MC3 MC3R Human Melanocortin A pKi 6.12 6.12 6.12 ChEMBL
ghrelin GHSR Human Ghrelin A pKi 6.14 6.14 6.14 ChEMBL
MC4 MC4R Human Melanocortin A pKi 9.03 9.04 9.05 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ghrelin GHSR Human Ghrelin A pEC50 7.1 7.1 7.1 ChEMBL
MC4 MC4R Human Melanocortin A pIC50 7.68 7.68 7.68 ChEMBL