roxithromycin


SMILES COCCOCO/N=C/1\[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C
InChIKey RXZBMPWDPOLZGW-XMRMVWPWSA-N

Chemical properties

Hydrogen bond acceptors 17
Hydrogen bond donors 5
Rotatable bonds 13
Molecular weight (Da) 836.5

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Rat Adrenoceptors A pKi 8.2 8.2 8.2 Drug Central
α1B ADA1B Rat Adrenoceptors A pKi 6.26 6.26 6.26 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
motilin MTLR Human Motilin A pIC50 8.21 8.21 8.21 Drug Central
motilin MTLR Human Motilin A pIC50 6.2 6.2 6.2 Guide to Pharmacology
α1B ADA1B Rat Adrenoceptors A pIC50 6.0 6.0 6.0 ChEMBL