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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL224436
CHEMBL224436
Compound Name JOSAMYCIN
ChEMBL Synonyms JOSAMYCIN PROPIONATE | EN-141 | JOSAMYCIN
Max Phase 3
Trade Names
Molecular Formula C42H69NO15

Additional synonyms for CHEMBL224436 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CO[C@H]1[C@@H](CC(=O)O[C@H](C)C\C=C\C=C\[C@H](O)[C@H](C)C[C@ ...
Download SMILES
Standard InChI InChI=1S/C42H69NO15/c1-23(2)19-32(47)56-40-27(6)53-34(22-42( ...
Download InChI
Standard InChI Key XJSFLOJWULLJQS-NGVXBBESSA-N

Sources

  • 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


CHEMBL224436

Molecule Features

CHEMBL224436 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Premature BirthD047928EFO:0003917premature birth3ClinicalTrials

Clinical Data

ClinicalTrials.gov JOSAMYCIN
The Cochrane Collaboration JOSAMYCIN

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
828 827.4667 3.01 12 206.05 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
16 3 2 16 3 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.06 7.4 4.73 4.48 0 58 0.15

Structural Alerts

There are 9 structural alerts for CHEMBL224436. 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
J01FA07 - josamycin

ChemSpider ChemSpider:XJSFLOJWULLJQS-NGVXBBESSA-N
Wikipedia Josamycin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL224436



ChEBI 31739
DrugBank DB01321
DrugCentral 1518
eMolecules 524525 30487906
FDA SRS HV13HFS217
Human Metabolome Database HMDB0015418
KEGG Ligand C12662
Metabolights MTBLC31739
MolPort MolPort-003-937-666
Nikkaji J979B
PharmGKB PA164749133
PubChem 5282165
PubChem: Thomson Pharma 15263257
SureChEMBL SCHEMBL132829
ZINC ZINC000096006021

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