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Compound Detail

CHEMBL1644028

THIOCYANATE SODIUM
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Basic Information

ChEMBL ID CHEMBL1644028
Name THIOCYANATE SODIUM
Phase Preclinical
Structure Type MOL
InChI Key VGTPCRGMBIAPIM-UHFFFAOYSA-M

Known Names

Sodium rhodanate Sodium sulfocyanate Sodium thiocyanate Thiocyanate sodium
1
Targets
49
Activities
1
Assay Types
0
PK Parameters
20
Publications
4
Known Names

Molecular Properties

81.1
MW (Da)

Drug Information

Molecule Type Small molecule
Chirality Achiral

Extended Properties

Molecular Formula CNNaS
MW 81.07

Activity Summary

Ki 49 meas. best 5.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 5.1 4.24 8000.0 5

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 8000.0 nM 5.1 Inhibition of His6-tagged Mycobacterium tuberculosis Rv3588c expressed in Escher... -
Unchecked Ki = 93000.0 nM 4.03 Inhibition of Porphyromonas gingivalis gamma-carbonic anhydrase preincubated for... 25168748
Unchecked Ki = 93000.0 nM 4.03 Inhibition of Porphyromonas gingivalis CA after 15 mins by stopped-flow/Co2 hydr... 26145820
Unchecked Ki = 93000.0 nM 4.03 Inhibition of Porphyromonas gingivalis recombinant carbonic anhydrase gamma asse... 27914949
Unchecked Ki = 97000.0 nM 4.01 Inhibition of Leptonychotes weddellii alpha-carbonic anhydrase after 15 mins by ... 21377369

Literature References

PubMed DOI Target Context # Activities
27914949 10.1016/j.bmc.2016.11.021 Unchecked 4
- 10.1039/C4MD00310A Unchecked 3
23200251 10.1016/j.bmcl.2012.10.103 Unchecked 3
26145820 10.1016/j.bmc.2015.06.021 Unchecked 3
23790722 10.1016/j.bmc.2013.05.058 Unchecked 2
25168748 10.1016/j.bmcl.2014.08.014 Unchecked 2
23414807 10.1016/j.bmcl.2013.01.084 Unchecked 2
22835873 10.1016/j.bmcl.2012.06.106 Unchecked 2
21570835 10.1016/j.bmcl.2011.04.105 Unchecked 2
21570835 10.1016/j.bmcl.2011.04.105 Carbonic anhydrase 1 1
23200251 10.1016/j.bmcl.2012.10.103 Carbonic anhydrase 1 1
23200251 10.1016/j.bmcl.2012.10.103 Carbonic anhydrase 2 1
21570835 10.1016/j.bmcl.2011.04.105 Carbonic anhydrase 2 1
21377369 10.1016/j.bmc.2011.02.015 Carbonic anhydrase 2 1
21377369 10.1016/j.bmc.2011.02.015 Carbonic anhydrase 1 1
21377369 10.1016/j.bmc.2011.02.015 Unchecked 1
21211980 10.1016/j.bmc.2010.12.033 Carbonic anhydrase 5A, mitochondrial 1
21211980 10.1016/j.bmc.2010.12.033 Carbonic anhydrase 4 1
21211980 10.1016/j.bmc.2010.12.033 Carbonic anhydrase 2 1
21211980 10.1016/j.bmc.2010.12.033 Carbonic anhydrase 1 1

Data from ChEMBL 36 via Core Engine