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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

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

Structural Alerts

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

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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