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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL278590
CHEMBL278590
Compound Name GSK-9578
ChEMBL Synonyms GW-9578 | GSK-9578
Max Phase 0
Trade Names
Molecular Formula C26H34F2N2O3S

Additional synonyms for CHEMBL278590 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(=O)O)cc1)C(=O)Nc2ccc(F)cc2F
Standard InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11- ...
Download InChI
Standard InChI Key KYQNYMXQHLMADB-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL278590

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
492.6 492.2258 6.98 13 94.94 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 1 5 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.77 .2 6.46 3.07 2 34 0.23

Structural Alerts

There are 5 structural alerts for CHEMBL278590. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KYQNYMXQHLMADB-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL278590



ACToR 247923-29-1
BindingDB 28799
eMolecules 13277266
EPA CompTox Dashboard DTXSID10179493
FDA SRS H32ABL87X4
Guide to Pharmacology 2673
IBM Patent System 16B551C0131025A4B8E25AD2ECFBFBDF
MolPort MolPort-009-019-367
Nikkaji J1.185.900C
PubChem 9870304
PubChem: Drugs of the Future 22395210
PubChem: Thomson Pharma 14835304
SureChEMBL SCHEMBL68327
ZINC ZINC000014115100

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