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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
FDA SRS WMW5I5964P
IBM Patent System 9BF61A44FB6C317C101BB7F828DA7C3E
IBM Patents US6565873 EP1670806A1 US4081548 US5618934 EP0001567A1 US4962202 US20030094715 EP0362622B1 EP0030719A1 US4766066 US3950357 EP1765295A1 US20020071874 EP1365731A1 US4168268 EP0296641A2 WO1996040168A2 US5958443 EP0197432B1 EP0248565A1 US5541317 US4141986 US4454332 US20100279367 US4536476 EP0035689A1 EP0641795B1 EP0682666A1 US20090291124 EP0918545B1 WO2008036445A2 US20080118545 US6251891 EP0632039B1 EP1177813A1 WO2003037310A2 EP0558475A1 EP1593680A1 US6346272 US7199124 US6036976 US5025006 US4693977 EP0358085A1 WO2002064087A2 US20030082234 EP0373260A1 EP1819813A2 US20040022861 US5037974 WO2001096023A2 EP0083032A2 US20080292560 USRE34875 US4880793 US20060167243 US4006060 US5126141 EP1875926A1 US20030153530 US20100222410 WO2002041765A2 EP0518558A1 US4277482 EP1765821A2 WO2002094773A2 EP0513398A1 EP0759774B1 US4595532 US4368203 EP0414492A1 EP1670806B9 US20090253807 US7531162 US5140030 EP0199446A1 EP0406863A1 US4210662 US5393665 US4548747 EP0008888A1 EP1695722A1 US6506410 US4397861 EP0208889A1 US5373002 EP1249232B1 WO1999001427A2 US6780430 EP1305628B1 EP0469844A1 EP0028497A1 US4423055 US4206219 US4387051 EP0238324A1 EP0229384A2 US4933333 EP0481600A2 EP0662145A1
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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