General
Preferred name
ROXITHROMYCIN
Synonyms
RU-28965 ()
Roxl-150 ()
RU 28965 ()
NSC-758443 ()
Rulide ()
RU 965 ()
RU-965 ()
Rulid ()
P&D ID
PD001009
CAS
80214-83-1
Tags
natural product
drug
available
First approval
1987
Drug indication
Bacterial infection
Antibacterial
Drug Status
approved
withdrawn
Max Phase
Phase 4
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Roxithromycin is a semisynthetic macrolide antibacterial compound, derived from . It has numerous chiral centres; therefore there are varying representations of its stereochemistry across other databases, and activity data on PubChem is spread across many different entires. The structure shown here matches the entry on PubChem with the highest number of same structure matches, and also matches the ChEMBL entry linked to below. (GtoPdb)
Cell lines
1
Organisms
1
Compound Sets
14
Cayman Chemical Bioactives
19465
ChEMBL Approved Drugs
CHEMBL1214185
ChEMBL Drugs
CHEMBL1214185
Drug Repurposing Hub
DrugCentral
2410
DrugCentral Approved Drugs
2410
DrugMAP
DMVMIK2
EU-OPENSCREEN Bioactive Compound Library
EOS101718
Guide to Pharmacology
1465
MedChem Express Bioactive Compound Library
HY-B0435
Prestwick Chemical Library
TargetMol Bioactive Compound Library
T1151
The Spectrum Collection
Withdrawn 2.0
DB00778
External IDs
27
Properties
(calculated by RDKit )
Molecular Weight
836.52
Hydrogen Bond Acceptors
17
Hydrogen Bond Donors
5
Rotatable Bonds
13
Ring Count
3
Aromatic Ring Count
0
cLogP
2.21
TPSA
216.89
Fraction CSP3
0.95
Chiral centers
18.0
Largest ring
14.0
QED
0.08
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Microbiology&virology
Anti-infection
Target
50S ribosome
MLNR
antibiotic
Bacterial
Indication
respiratory tract infections, urinary tract infections, skin infections
MOA
bacterial 50S ribosomal subunit inhibitor
ATC
J01FA06
Therapeutic Class
Antibiotics
Source data