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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1214185
CHEMBL1214185
Compound Name ROXITHROMYCIN
ChEMBL Synonyms RU 28965 | RULID | RULIDE | ROXITHROMYCIN | RU 965
Max Phase 4 (Approved)
Trade Names RULID | RULIDE
Molecular Formula C41H76N2O15

Additional synonyms for CHEMBL1214185 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C ...
Download SMILES
Standard InChI InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-2 ...
Download InChI
Standard InChI Key RXZBMPWDPOLZGW-XMRMVWPWSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • DrugMatrix
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1214185

Molecule Features

CHEMBL1214185 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Clinical Data

ClinicalTrials.gov ROXITHROMYCIN
The Cochrane Collaboration ROXITHROMYCIN

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
837.1 836.5246 2.21 13 216.89 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
17 5 2 17 5 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13 8.16 2.84 2.1 0 58 0.08

Structural Alerts

There are 13 structural alerts for CHEMBL1214185. To view alerts please click here.

Compound Cross References

ATC J - ANTIINFECTIVES FOR SYSTEMIC USE
J01 - ANTIBACTERIALS FOR SYSTEMIC USE
J01F - MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
J01FA - Macrolides
J01FA06 - roxithromycin

ChemSpider ChemSpider:RXZBMPWDPOLZGW-XMRMVWPWSA-N
Wikipedia Roxithromycin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1214185



ChEBI 48935
DrugCentral 2410
FDA SRS 21KOF230FA
Guide to Pharmacology 1465
LINCS LSM-45095
MolPort MolPort-000-788-289
Nikkaji J227.543K J1.677.072H
PDBe ROX
PubChem 6915744
PubChem: Thomson Pharma 14791576 14816129
SureChEMBL SCHEMBL65985
ZINC ZINC000096006016

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/RXZBMPWDPOLZGW-XMRMVWPWSA-N spacer
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