CHEMBL366706


SMILES O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)[C@H]1Cc2ccccc2CN1
InChIKey JSSBJZNAQLSMID-CZNDPXEESA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 11
Molecular weight (Da) 641.3

Drug properties

Molecular type Small molecule
Endogenous/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 6.62 6.62 6.62 ChEMBL
MC3 MC3R Human Melanocortin A pKi 5.75 5.75 5.75 ChEMBL
MC4 MC4R Human Melanocortin A pKi 7.92 7.95 7.97 ChEMBL
MC1 MSHR Human Melanocortin A pKi 5.22 5.22 5.22 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC4 MC4R Human Melanocortin A pEC50 6.45 6.5 6.54 ChEMBL