CHEMBL394075


SMILES COc1cc(Br)c(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)[C@H]2CC[C@@H](C[C@H]3CC[C@H](N)CC3)CC2)cc1OC
InChIKey YMTLLYLNFVKNJU-POBRJONFSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 13
Molecular weight (Da) 729.3

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
MC1 MSHR Mouse Melanocortin A pKi 5.54 5.54 5.54 ChEMBL
MC5 MC5R Human Melanocortin A pKi 5.04 5.04 5.04 ChEMBL
MC3 MC3R Human Melanocortin A pKi 5.27 5.27 5.27 ChEMBL
MC4 MC4R Human Melanocortin A pKi 5.13 5.13 5.13 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database