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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 GW0742
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

Structural Alerts

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

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

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
BindinDB 50127222
eMolecules 8318640
Guide to Pharmacology 2686
IBM Patent System 6CB3990ED476A7607FCA7CA5BA0600CB
IBM Patents US6723740 US20090170852 US20050239857 US6710063 US20050154042 US7084161 WO2001000603A1 EP1912937A1 WO2006087630A2 WO2008104875A1 EP1324774B1 WO2007015161A1 US20040029938 WO2002028433A2 US20050131035 US20060287378 US20030203947
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

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