EPIRUBICIN


SMILES COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1
InChIKey AOJJSUZBOXZQNB-VTZDEGQISA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 6
Rotatable bonds 5
Molecular weight (Da) 543.2

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
5-HT4 5HT4R Guinea pig 5-Hydroxytryptamine A pKi 5.88 5.88 5.88 ChEMBL
5-HT4 5HT4R Guinea pig 5-Hydroxytryptamine A pKi 8.23 8.23 8.23 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT4 5HT4R Guinea pig 5-Hydroxytryptamine A pIC50 5.1 5.1 5.1 ChEMBL