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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1741
CHEMBL1741
Compound Name CLARITHROMYCIN
ChEMBL Synonyms TE-031 | CLARITHROMYCIN | ABBOTT-56268 | Biaxin | Klaricid | Biaxin XL | A-56268 | Biaxin XL Pac | Clarithromycin extended release | Prevpac
Max Phase 4 (Approved)
Trade Names Biaxin XL | BIAXIN | Biaxin XL Pac | Clarithromycin extended release | Clarithromycin | Klaricid
Molecular Formula C38H69NO13

Additional synonyms for CHEMBL1741 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/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2) ...
Download InChI
Standard InChI Key AGOYDEPGAOXOCK-KCBOHYOISA-N

Sources

  • British National Formulary
  • Curated Drug Metabolism Pathways
  • Curated Drug Pharmacokinetic Data
  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1741

Molecule Features

CHEMBL1741 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Bacterial 70S ribosome inhibitor Bacterial 70S ribosome DailyMed PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
CROHN DISEASED003424EFO:0000384CROHN'S DISEASE3ClinicalTrials
TUBERCULOSISD014376Orphanet:3389TUBERCULOSIS3ClinicalTrials
BRONCHOPULMONARY DYSPLASIAD001997Orphanet:70589BRONCHOPULMONARY DYSPLASIA3ClinicalTrials
INFECTIOND007239EFO:0000544INFECTION4DailyMed
LYMPHOMAD008223EFO:0000574LYMPHOMA1ClinicalTrials
MULTIPLE MYELOMAD009101EFO:0001378MULTIPLE MYELOMA2ClinicalTrials
PERIODONTITISD010518EFO:0000649PERIODONTITIS2ClinicalTrials
BRONCHITIS, CHRONICD029481EFO:0006505CHRONIC BRONCHITIS3ClinicalTrials
HEART DISEASESD006331EFO:0003777HEART DISEASE3ClinicalTrials
PNEUMONIAD011014EFO:0003106PNEUMONIA3ClinicalTrials
SINUSITISD012852EFO:0007486SINUSITIS3ClinicalTrials

Clinical Data

ClinicalTrials.gov CLARITHROMYCIN
The Cochrane Collaboration CLARITHROMYCIN

Metabolites for CHEMBL1741

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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
748 747.4769 2.2 8 182.9 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
14 4 2 14 4 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.08 8.16 2.81 2.06 0 52 0.27

Structural Alerts

There are 3 structural alerts for CHEMBL1741. 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
J01FA09 - clarithromycin

ChemSpider ChemSpider:AGOYDEPGAOXOCK-KCBOHYOISA-N
DailyMed clarithromycin
PubChem SID: 26719890 SID: 49648843

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1741



ACToR 116836-41-0
BindingDB 50404044
Brenda 22099
ChEBI 3732
DrugBank DB01211
DrugCentral 668
eMolecules 4775688
EPA CompTox Dashboard DTXSID3022829
FDA SRS H1250JIK0A
Human Metabolome Database HMDB0015342
IBM Patent System 90EA4B3FE4B2F48F6AAC88D979B7091F
KEGG Ligand C06912
LINCS LSM-5606
LipidMaps LMPK04000014
Mcule MCULE-7168853332
MolPort MolPort-002-507-425
NIH Clinical Collection SAM001246748
Nikkaji J134.033F
PDBe CTY
PharmGKB PA449028
PubChem 84029
PubChem: Drugs of the Future 12013874
PubChem: Thomson Pharma 14937909 14913515
Selleck clarithromycin
SureChEMBL SCHEMBL38125
ZINC ZINC000085534098

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