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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL278773
CHEMBL278773
Compound Name THIENAMYCIN
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H16N2O4S

Additional synonyms for CHEMBL278773 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H](O)[C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCCN
Standard InChI InChI=1S/C11H16N2O4S/c1-5(14)8-6-4-7(18-3-2-12)9(11(16)17)13 ...
Download InChI
Standard InChI Key WKDDRNSBRWANNC-ATRFCDNQSA-N

Structural Alerts

There are 3 structural alerts for CHEMBL278773. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL278773

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
272.3 272.0831 -4.09 5 129.16 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 0 6 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.2 9.04 -3.07 -5.57 0 18 0.44

Compound Cross References

ChemSpider ChemSpider:WKDDRNSBRWANNC-ATRFCDNQSA-N
Wikipedia Thienamycin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL278773



ACToR 59995-64-1
ChEBI 9542
FDA SRS WMW5I5964P
IBM Patent System 9BF61A44FB6C317C101BB7F828DA7C3E
KEGG Ligand C06664
Nikkaji J20.130H
PubChem 66609561 441128
PubChem: Thomson Pharma 16559658 14848441
SureChEMBL SCHEMBL160508
ZINC ZINC02001263

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