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Compound Detail

CHEMBL448089

SODIUM SELENOCYANATE
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N#C[Se-].[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL448089
Name SODIUM SELENOCYANATE
Phase Preclinical
Structure Type MOL
InChI Key IBJRLHARKKQREK-UHFFFAOYSA-M
Parent Compound CHEMBL4298879
Active Moiety CHEMBL4298879
3
Targets
30
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

106.0
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula CNNaSe
MW 127.97

Activity Summary

Ki 30 meas. best 4.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 4.66 4.66 22000.0 1
Carbonic anhydrase 2
CHEMBL205
 Ki 4.07 4.07 86000.0 7
Carbonic anhydrase 1
CHEMBL261
 Ki 4.07 4.07 85000.0 5

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 22000.0 nM 4.66 Inhibition of Streptococcus pneumoniae beta-carbonic anhydrase after 15 mins by ... 21163660
Carbonic anhydrase 1 Ki = 85000.0 nM 4.07 Inhibition of human recombinant carbonic anhydrase 1-catalyzed CO2 hydration by ... 19269822
Carbonic anhydrase 2 Ki = 86000.0 nM 4.07 Inhibition of human recombinant carbonic anhydrase 2-catalyzed CO2 hydration by ... 19269822
Carbonic anhydrase 1 Ki = 85000.0 nM 4.07 Inhibition of human carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydra... 21163660
Carbonic anhydrase 2 Ki = 86000.0 nM 4.07 Inhibition of human carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydra... 21163660
Carbonic anhydrase 1 Ki = 85000.0 nM 4.07 Inhibition of recombinant human carbonic anhydrase 1 after 15 mins by stopped fl... 21570835
Carbonic anhydrase 2 Ki = 86000.0 nM 4.07 Inhibition of recombinant human carbonic anhydrase 2 after 15 mins by stopped fl... 21570835
Carbonic anhydrase 1 Ki = 85000.0 nM 4.07 Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydrati... 22227210
Carbonic anhydrase 2 Ki = 86000.0 nM 4.07 Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydrati... 22227210
Carbonic anhydrase 1 Ki = 85000.0 nM 4.07 Inhibition of human carbonic anhydrase-1 at 20 degC preincubated for 15 mins by ... 23790722
Carbonic anhydrase 2 Ki = 86000.0 nM 4.07 Inhibition of human CA2 after 15 mins by stopped-flow/Co2 hydration assay 26145820
Carbonic anhydrase 2 Ki = 86000.0 nM 4.07 Inhibition of human carbonic anhydrase-2 by CO2 hydration reaction based colorim... 26068018
Carbonic anhydrase 2 Ki = 86000.0 nM 4.07 Inhibition of human recombinant carbonic anhydrase 2 assessed as inhibition of C... 27914949

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
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 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 9 1
20137947 10.1016/j.bmcl.2010.01.081 Carbonic anhydrase 12 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 7 1
19269822 10.1016/j.bmcl.2009.02.088 Carbonic anhydrase 4 1

Data from ChEMBL 36 via Core Engine