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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1741
CHEMBL1741
Compound Name CLARITHROMYCIN
ChEMBL Synonyms TE-031 | FEBZIN XL | CLAROSIP | CLARITHROMYCIN | ABBOTT-56268 | Biaxin | Prevpac | KLARICID ADULT | BIAXIN XL | A-56268 | Clarithromycin extended release | MYCIFOR XL | KLARICID PAED | CLARIE XL | Biaxin XL Pac | XETININ XL | KLARICID XL | KLARICID | ZECLAR | KLARICID I.V. | KLARICID 500
Max Phase 4 (Approved)
Trade Names CLARITHROMYCIN | CLAROSIP | KLARICID 500 | BIAXIN XL | KLARICID ADULT | BIAXIN | Biaxin XL Pac | CLARIE XL | KLARICID PAED | MYCIFOR XL | Clarithromycin extended release | XETININ XL | KLARICID | KLARICID XL | FEBZIN XL | KLARICID I.V. | ZECLAR
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
Bronchitis, ChronicD029481EFO:0006505chronic bronchitis3ClinicalTrials
Crohn DiseaseD003424EFO:0000384Crohn's disease3ClinicalTrials
HIV InfectionsD015658EFO:0000764HIV infection1ClinicalTrials
PneumoniaD011014EFO:0003106pneumonia3ClinicalTrials
Pneumonia, BacterialD018410EFO:1001272bacterial pneumonia3ClinicalTrials
SepsisD018805HP:0100806sepsis3ClinicalTrials
Carcinoma, Non-Small-Cell LungD002289EFO:0003060non-small cell lung carcinoma2ClinicalTrials
HemorrhageD006470MP:0001914hemorrhage3ClinicalTrials
Parkinson DiseaseD010300EFO:0002508Parkinson's disease1ClinicalTrials
AsthmaD001249EFO:0000270asthma3ClinicalTrials
Bronchiolitis ObliteransD001989EFO:0007183bronchiolitis obliterans3ClinicalTrials
Helicobacter InfectionsD0164813ClinicalTrials
OsteomyelitisD010019EFO:0003102osteomyelitis0ClinicalTrials
PeriodontitisD010518EFO:0000649periodontitis2ClinicalTrials
Shock, SepticD012772EFO:0006834septic shock3ClinicalTrials
Carcinoma, Squamous CellD002294EFO:0000708squamous cell lung carcinoma2ClinicalTrials
LymphomaD008223EFO:0000574lymphoma2ClinicalTrials
Multiple MyelomaD009101EFO:0001378multiple myeloma3ClinicalTrials
Stomach NeoplasmsD013274EFO:0000178gastric carcinoma3ClinicalTrials
Toxoplasmosis, CerebralD016781EFO:0007200cerebral toxoplasmosis2ClinicalTrials
Buruli UlcerD054312EFO:1001281Buruli Ulcer2ClinicalTrials
Helicobacter InfectionsD016481EFO:1000961Helicobacter pylori infectious disease3ClinicalTrials
InfectionD007239EFO:0000544infection4FDA
Lymphoma, Non-HodgkinD008228EFO:0005952non-Hodgkins lymphoma3ClinicalTrials
Prostatic NeoplasmsD011471EFO:0001663prostate carcinoma1ClinicalTrials
TuberculosisD014376Orphanet:3389Tuberculosis3ClinicalTrials
Heart DiseasesD006331EFO:0003777heart disease3ClinicalTrials
Lymphoma, B-Cell, Marginal ZoneD018442EFO:0000191MALT lymphoma2ClinicalTrials
NeoplasmsD009369EFO:0000616neoplasm1ClinicalTrials
Pseudomyxoma PeritoneiD011553EFO:0007456pseudomyxoma peritonei2ClinicalTrials
SinusitisD012852EFO:0007486sinusitis3ClinicalTrials
Influenza, HumanD007251EFO:0001669influenza infection2ClinicalTrials
Leukemia, Lymphocytic, Chronic, B-CellD015451EFO:0000095chronic lymphocytic leukemia2ClinicalTrials
Mycobacterium avium-intracellulare InfectionD015270EFO:0007386Mycobacterium avium complex disease2ClinicalTrials
Venous ThromboembolismD054556EFO:0004286venous thromboembolism1ClinicalTrials
Bronchopulmonary DysplasiaD001997Orphanet:70589Bronchopulmonary dysplasia3ClinicalTrials
Depressive DisorderD003866EFO:0003761unipolar depression1ClinicalTrials

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 2.44 8 182.91 NEUTRAL


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


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
ChemicalBook CB2225614
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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