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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL498466
CHEMBL498466
Compound Name TIAMULIN
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H47NO4S

Additional synonyms for CHEMBL498466 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(CC)CCSCC(=O)O[C@@H]1C[C@@](C)(C=C)[C@@H](O)[C@H](C)[C@@] ...
Download SMILES
Standard InChI InChI=1S/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29( ...
Download InChI
Standard InChI Key UURAUHCOJAIIRQ-LNPVQEOXSA-N

Sources

  • Scientific Literature
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL498466

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
493.8 493.3226 4.97 9 66.84 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.74 4.38 2.1 0 34 0.28

Structural Alerts

There are 7 structural alerts for CHEMBL498466. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UURAUHCOJAIIRQ-LNPVQEOXSA-N
Wikipedia Tiamulin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL498466



PubChem 21724551
ZINC ZINC000031983173

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