CHEMBL423101


SMILES O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2Cn2ccnc2)CC1)[C@H]1Cc2ccccc2CN1
InChIKey BVTKLQRLIKZFNA-LOYHVIPDSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 582.3

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
MC1 MSHR Human Melanocortin A pKi 5.4 5.4 5.4 ChEMBL
MC5 MC5R Human Melanocortin A pKi 6.16 6.16 6.16 ChEMBL
MC3 MC3R Human Melanocortin A pKi 5.44 5.44 5.44 ChEMBL
MC4 MC4R Human Melanocortin A pKi 6.96 6.96 6.96 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC3 MC3R Human Melanocortin A pEC50 5.8 5.8 5.8 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 7.85 7.85 7.85 ChEMBL