CHEMBL5432266


SMILES COc1cc([C@@H](C)C(=O)N2CC[C@@]3(COc4cc(-c5ncccn5)c(C)nc4N3)C2)c(F)cn1
InChIKey GDRJSPPVRGELGB-SHACYNPGSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 464.2

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
MC4 MC4R Rat Melanocortin A pKi 9.28 9.28 9.28 ChEMBL
MC5 MC5R Human Melanocortin A pKi 6.08 6.08 6.08 ChEMBL
MC3 MC3R Human Melanocortin A pKi 6.47 6.47 6.47 ChEMBL
MC4 MC4R Human Melanocortin A pKi 9.34 9.34 9.34 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC4 MC4R Human Melanocortin A pIC50 7.89 7.89 7.89 ChEMBL