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Compound Detail

CHEMBL2069541

SODIUM ISOSELENOCYANATE
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[N-]=C=[Se].[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2069541
Name SODIUM ISOSELENOCYANATE
Phase Preclinical
Structure Type MOL
InChI Key YTCRRZPPDGMMBV-UHFFFAOYSA-N
Parent Compound CHEMBL2079226
Active Moiety CHEMBL2079226
3
Targets
31
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 31 meas. best 4.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 4.16 4.16 70000.0 1
Carbonic anhydrase 2
CHEMBL205
 Ki 4.07 4.07 86000.0 9
Carbonic anhydrase 1
CHEMBL261
 Ki 4.07 4.07 85000.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 70000.0 nM 4.16 Inhibition of Sulfurihydrogenibium yellowstonense YO3AOP1 alpha-carbonic anhydra... 22835873
Carbonic anhydrase 2 Ki = 86000.0 nM 4.07 Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 mins by s... 23072866
Carbonic anhydrase 1 Ki = 85000.0 nM 4.07 Inhibition of human cytosolic carbonic anhydrase 1 preincubated for 15 mins by s... 23072866
Carbonic anhydrase 2 Ki = 86000.0 nM 4.07 Inhibition of human cytosolic carbonic anhydrase-2 preincubated for 15 mins by s... 23414801
Carbonic anhydrase 2 Ki = 86000.0 nM 4.07 Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flo... 23414807
Carbonic anhydrase 1 Ki = 85000.0 nM 4.07 Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flo... 23414807
Carbonic anhydrase 2 Ki = 86000.0 nM 4.07 Inhibition of human recombinant CA2 by CO2 hydration assay 23769640
Carbonic anhydrase 2 Ki = 86000.0 nM 4.07 Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay 24461298
Carbonic anhydrase 1 Ki = 85000.0 nM 4.07 Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flo... 25168745
Carbonic anhydrase 2 Ki = 86000.0 nM 4.07 Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flo... 25168745
Carbonic anhydrase 2 Ki = 86000.0 nM 4.07 Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flo... 25168748
Carbonic anhydrase 2 Ki = 86000.0 nM 4.07 Inhibition of recombinant human carbonic anhydrase 2 assessed as inhibition of C... 28238511
Carbonic anhydrase 2 Ki = 86000.0 nM 4.07 Inhibition of human CA2 incubated for 15 mins by stopped-flow CO2 hydration assa... 28754318

Literature References

PubMed DOI Target Context # Activities
28238511 10.1016/j.bmc.2017.02.032 Unchecked 2
28754318 10.1016/j.bmc.2017.07.033 Unchecked 2
25168748 10.1016/j.bmcl.2014.08.014 Unchecked 2
23414801 10.1016/j.bmcl.2013.01.087 Unchecked 2
23414807 10.1016/j.bmcl.2013.01.084 Unchecked 2
22835873 10.1016/j.bmcl.2012.06.106 Unchecked 2
24461298 10.1016/j.bmcl.2013.12.124 Unchecked 2
23769640 10.1016/j.bmcl.2013.05.063 Carbonic anhydrase 1
25168748 10.1016/j.bmcl.2014.08.014 Carbonic anhydrase 2 1
25168745 10.1016/j.bmcl.2014.08.015 Unchecked 1
25168745 10.1016/j.bmcl.2014.08.015 Carbonic anhydrase 2 1
25168745 10.1016/j.bmcl.2014.08.015 Carbonic anhydrase 1 1
24461298 10.1016/j.bmcl.2013.12.124 Carbonic anhydrase 2 1
23769640 10.1016/j.bmcl.2013.05.063 Carbonic anhydrase 2 1
23769640 10.1016/j.bmcl.2013.05.063 Unchecked 1
23414807 10.1016/j.bmcl.2013.01.084 Carbonic anhydrase 1 1
23414807 10.1016/j.bmcl.2013.01.084 Carbonic anhydrase 2 1
23414801 10.1016/j.bmcl.2013.01.087 Carbonic anhydrase 2 1
23072866 10.1016/j.bmcl.2012.09.065 Carbonic anhydrase 1 1
23072866 10.1016/j.bmcl.2012.09.065 Carbonic anhydrase 2 1

Data from ChEMBL 36 via Core Engine