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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL497295
CHEMBL497295
Compound Name PLEUROMUTILIN
ChEMBL Synonyms Pleuromutilin
Max Phase 0
Trade Names
Molecular Formula C22H34O5

Additional synonyms for CHEMBL497295 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H]1CC[C@@]23CCC(=O)[C@@H]2[C@]1(C)[C@@H](C[C@@](C)(C=C) ...
Download SMILES
Standard InChI InChI=1S/C22H34O5/c1-6-20(4)11-16(27-17(25)12-23)21(5)13(2)7 ...
Download InChI
Standard InChI Key ZRZNJUXESFHSIO-BWQWJNJNSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL497295

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
378.5 378.2406 2.37 4 83.83 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.91 - 1.85 1.85 0 27 0.58

Structural Alerts

There are 5 structural alerts for CHEMBL497295. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZRZNJUXESFHSIO-BWQWJNJNSA-N
Wikipedia Pleuromutilin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL497295



PubChem 21724548
SureChEMBL SCHEMBL217950
ZINC ZINC000028644011

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