ACLARUBICIN


SMILES CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC
InChIKey USZYSDMBJDPRIF-SVEJIMAYSA-N

Chemical properties

Hydrogen bond acceptors 16
Hydrogen bond donors 4
Rotatable bonds 9
Molecular weight (Da) 811.3

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
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.15 6.15 6.15 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.21 8.21 8.21 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 5.96 5.96 5.96 ChEMBL