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Compound Detail

CHEMBL111016

SODIUM PYROSULFATE
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O=S(=O)([O-])OS(=O)(=O)[O-].[Na+].[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL111016
Name SODIUM PYROSULFATE
Phase Preclinical
Structure Type MOL
InChI Key JXAZAUKOWVKTLO-UHFFFAOYSA-L
Parent Compound CHEMBL1205545
Active Moiety CHEMBL1205545
1
Targets
19
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

178.1
MW (Da)
-1.39
ALogP
5
HBA
2
HBD
118.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula Na2O7S2
MW 222.11
Aromatic Rings 0
Heavy Atoms 9
NP-Likeness 0.31

Activity Summary

Ki 19 meas. best 4.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 4.32 4.32 48000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 48000.0 nM 4.32 Inhibition of Streptococcus pneumoniae beta-carbonic anhydrase after 15 mins by ... 21163660

Literature References

PubMed DOI Target Context # Activities
23790722 10.1016/j.bmc.2013.05.058 Unchecked 2
21570835 10.1016/j.bmcl.2011.04.105 Unchecked 2
21163660 10.1016/j.bmc.2010.11.031 Carbonic anhydrase 2 1
23790722 10.1016/j.bmc.2013.05.058 Carbonic anhydrase 1 1
23790722 10.1016/j.bmc.2013.05.058 Trypanosoma cruzi 1
22227210 10.1016/j.bmcl.2011.12.085 Astrosclerin-3 1
22227210 10.1016/j.bmcl.2011.12.085 Carbonic anhydrase 2 1
22227210 10.1016/j.bmcl.2011.12.085 Carbonic anhydrase 1 1
21570835 10.1016/j.bmcl.2011.04.105 Carbonic anhydrase 2 1
21570835 10.1016/j.bmcl.2011.04.105 Carbonic anhydrase 1 1
19269822 10.1016/j.bmcl.2009.02.088 Carbonic anhydrase 1 1
21163660 10.1016/j.bmc.2010.11.031 Carbonic anhydrase 1 1
21163660 10.1016/j.bmc.2010.11.031 Unchecked 1
20137947 10.1016/j.bmcl.2010.01.081 Carbonic anhydrase 14 1
20137947 10.1016/j.bmcl.2010.01.081 Carbonic anhydrase 9 1
20137947 10.1016/j.bmcl.2010.01.081 Carbonic anhydrase 12 1
19269822 10.1016/j.bmcl.2009.02.088 Carbonic anhydrase 13 1
19269822 10.1016/j.bmcl.2009.02.088 Carbonic anhydrase 7 1
19269822 10.1016/j.bmcl.2009.02.088 Carbonic anhydrase 4 1
19269822 10.1016/j.bmcl.2009.02.088 Carbonic anhydrase 2 1

Data from ChEMBL 36 via Core Engine