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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1908336
CHEMBL1908336
Compound Name MIDECAMYCIN
ChEMBL Synonyms MIDECAMYCIN ACETATE | MIDECAMYCIN
Max Phase 0
Trade Names
Molecular Formula C41H67NO15

Additional synonyms for CHEMBL1908336 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)[C@@H]1CC(=O)O[C@H](C)C\C=C\C=C\[C@H](O)[C@H](C)C[C@ ...
Download SMILES
Standard InChI InChI=1S/C41H67NO15/c1-11-30(45)55-38-26(6)53-32(22-41(38,7) ...
Download InChI
Standard InChI Key NGNBWGMTPDSDCJ-QDFUUMMMSA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1908336

Molecule Features

CHEMBL1908336 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

Clinical Data

ClinicalTrials.gov MIDECAMYCIN
The Cochrane Collaboration MIDECAMYCIN

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
814 813.4511 2.62 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 4.12 3.86 0 57 0.15

Structural Alerts

There are 10 structural alerts for CHEMBL1908336. 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
J01FA03 - midecamycin

ChemSpider ChemSpider:NGNBWGMTPDSDCJ-QDFUUMMMSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1908336



PubChem 57393422
ZINC ZINC000169676952

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