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Compound Detail

CHEMBL1688757

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CC(=O)C(C)(C)Oc1ccc2c(c1)B(O)OC2

Basic Information

ChEMBL ID CHEMBL1688757
Phase Preclinical
Structure Type MOL
InChI Key HTSBXZGMXWNQDE-UHFFFAOYSA-N
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

234.1
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H15BO4
MW 234.06

Activity Summary

IC50 3 meas. best 6.43
EC50 2 meas. best 6.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanosoma brucei
CHEMBL612849
EC50 6.43 6.43 370.0 2
Trypanosoma brucei brucei
CHEMBL612851
IC50 6.43 6.43 370.0 1
Unchecked
CHEMBL612545
IC50 5.3 5.3 5000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21322634 10.1021/jm101225g Unchecked 1
21322634 10.1021/jm101225g Trypanosoma brucei brucei 1
21322634 10.1021/jm101225g L929 1
21968372 10.1016/j.ejmech.2011.08.049 Trypanosoma brucei 1
27080183 10.1016/j.bmcl.2016.03.103 Unchecked 1
27080183 10.1016/j.bmcl.2016.03.103 Trypanosoma brucei 1
27080183 10.1016/j.bmcl.2016.03.103 L929 1

Data from ChEMBL 36 via Core Engine