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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL38508
CHEMBL38508
Compound Name
ChEMBL Synonyms GW-0742
Max Phase 0
Trade Names
Molecular Formula C21H17F4NO3S2

Additional synonyms for CHEMBL38508 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cc(SCc2sc(nc2C)c3ccc(c(F)c3)C(F)(F)F)ccc1OCC(=O)O
Standard InChI InChI=1S/C21H17F4NO3S2/c1-11-7-14(4-6-17(11)29-9-19(27)28)30 ...
Download InChI
Standard InChI Key HWVNEWGKWRGSRK-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL38508

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
471.5 471.0586 5.8 8 112.96 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.17 1.78 5.08 1.45 3 31 0.33

Structural Alerts

There are 1 structural alerts for CHEMBL38508. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HWVNEWGKWRGSRK-UHFFFAOYSA-N
PubChem SID: 144212728 SID: 174007302 SID: 26753243 SID: 26753244 SID: 29215130
Wikipedia GW0742

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL38508



ACToR 317318-84-6
BindingDB 50127222
ChEBI 79991
eMolecules 8318640
EPA CompTox Dashboard DTXSID9040760
Guide to Pharmacology 2686
IBM Patent System 6CB3990ED476A7607FCA7CA5BA0600CB
KEGG Ligand C15625
LINCS LSM-3867
MolPort MolPort-003-847-640
Nikkaji J2.054.791J
PDBe GW0
PubChem 9934458
PubChem: Drugs of the Future 22395874
PubChem: Thomson Pharma 14907522
Selleck gw0742
SureChEMBL SCHEMBL2064674
ZINC ZINC000008022594

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