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Compound Detail

CHEMBL502764

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

Basic Information

ChEMBL ID CHEMBL502764
Name SODIUM PERSULFATE
Phase Preclinical
Structure Type MOL
InChI Key CHQMHPLRPQMAMX-UHFFFAOYSA-L
Parent Compound CHEMBL1208163
Active Moiety CHEMBL1208163
2
Targets
58
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

194.1
MW (Da)
-1.46
ALogP
6
HBA
2
HBD
127.2
PSA (Ų)
0.32
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula Na2O8S2
MW 238.11
Aromatic Rings 0
Heavy Atoms 10
NP-Likeness 0.28

Activity Summary

Ki 58 meas. best 4.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 4.34 4.34 46000.0 1
Carbonic anhydrase 2
CHEMBL205
 Ki 4.08 4.08 84000.0 17

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 46000.0 nM 4.34 Inhibition of Streptococcus pneumoniae beta-carbonic anhydrase after 15 mins by ... 21163660
Carbonic anhydrase 2 Ki = 84000.0 nM 4.08 Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 mins by s... 24210500
Carbonic anhydrase 2 Ki = 84000.0 nM 4.08 Inhibition of human CA2 incubated for 15 mins by stopped-flow CO2 hydration assa... 28754318
Carbonic anhydrase 2 Ki = 84000.0 nM 4.08 Inhibition of recombinant human carbonic anhydrase 2 assessed as inhibition of C... 28238511
Carbonic anhydrase 2 Ki = 84000.0 nM 4.08 Inhibition of human recombinant carbonic anhydrase 2 assessed as inhibition of C... 27914949
Carbonic anhydrase 2 Ki = 84000.0 nM 4.08 Inhibition of human carbonic anhydrase-2 by CO2 hydration reaction based colorim... 26068018
Carbonic anhydrase 2 Ki = 84000.0 nM 4.08 Inhibition of human CA2 after 15 mins by stopped-flow/Co2 hydration assay 26145820
Carbonic anhydrase 2 Ki = 84000.0 nM 4.08 Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flo... 25168748
Carbonic anhydrase 2 Ki = 84000.0 nM 4.08 Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flo... 25168745
Carbonic anhydrase 2 Ki = 84000.0 nM 4.08 Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay 24461298
Carbonic anhydrase 2 Ki = 84000.0 nM 4.08 Inhibition of human recombinant CA2 by CO2 hydration assay 23769640
Carbonic anhydrase 2 Ki = 84000.0 nM 4.08 Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flo... 23414807
Carbonic anhydrase 2 Ki = 84000.0 nM 4.08 Inhibition of human cytosolic carbonic anhydrase-2 preincubated for 15 mins by s... 23414801
Carbonic anhydrase 2 Ki = 84000.0 nM 4.08 Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 mins by s... 23072866
Carbonic anhydrase 2 Ki = 84000.0 nM 4.08 Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydrati... 22227210
Carbonic anhydrase 2 Ki = 84000.0 nM 4.08 Inhibition of recombinant human carbonic anhydrase 2 after 15 mins by stopped fl... 21570835
Carbonic anhydrase 2 Ki = 84000.0 nM 4.08 Inhibition of human carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydra... 21163660
Carbonic anhydrase 2 Ki = 84000.0 nM 4.08 Inhibition of human recombinant carbonic anhydrase 2-catalyzed CO2 hydration by ... 19269822

Literature References

PubMed DOI Target Context # Activities
27914949 10.1016/j.bmc.2016.11.021 Unchecked 4
26145820 10.1016/j.bmc.2015.06.021 Unchecked 3
23414801 10.1016/j.bmcl.2013.01.087 Unchecked 2
23414807 10.1016/j.bmcl.2013.01.084 Unchecked 2
28238511 10.1016/j.bmc.2017.02.032 Unchecked 2
28754318 10.1016/j.bmc.2017.07.033 Unchecked 2
22835873 10.1016/j.bmcl.2012.06.106 Unchecked 2
23790722 10.1016/j.bmc.2013.05.058 Unchecked 2
24461298 10.1016/j.bmcl.2013.12.124 Unchecked 2
25168748 10.1016/j.bmcl.2014.08.014 Unchecked 2
21570835 10.1016/j.bmcl.2011.04.105 Unchecked 2
21163660 10.1016/j.bmc.2010.11.031 Carbonic anhydrase 2 1
22227210 10.1016/j.bmcl.2011.12.085 Astrosclerin-3 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
21163660 10.1016/j.bmc.2010.11.031 Unchecked 1
20137947 10.1016/j.bmcl.2010.01.081 Carbonic anhydrase 9 1
20137947 10.1016/j.bmcl.2010.01.081 Carbonic anhydrase 14 1
19269822 10.1016/j.bmcl.2009.02.088 Carbonic anhydrase 13 1
19269822 10.1016/j.bmcl.2009.02.088 Carbonic anhydrase 4 1

Data from ChEMBL 36 via Core Engine