agomelatine


SMILES COc1ccc2c(c1)c(CCNC(=O)C)ccc2
InChIKey YJYPHIXNFHFHND-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 243.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 6ME5

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D4 DRD4 Human Dopamine A pKi 8.82 8.82 8.82 Guide to Pharmacology
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.87 5.87 5.87 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.43 6.43 6.43 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 5.72 5.72 5.72 ChEMBL
D4 DRD4 Human Dopamine A pKi 8.82 8.82 8.82 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D4 DRD4 Human Dopamine A pIC50 8.3 8.3 8.3 ChEMBL