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Compound Detail

CHEMBL1644699

SODIUM HYDROSULFIDE
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Basic Information

ChEMBL ID CHEMBL1644699
Name SODIUM HYDROSULFIDE
Phase Preclinical
Structure Type MOL
InChI Key HYHCSLBZRBJJCH-UHFFFAOYSA-M
Parent Compound CHEMBL1200739
Active Moiety CHEMBL1200739
5
Targets
66
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

34.1
MW (Da)
0.11
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.36
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula HNaS
MW 56.07
Aromatic Rings 0
Heavy Atoms 1

Activity Summary

Ki 66 meas. best 6.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Carbonic anhydrase 1
CHEMBL261
 Ki 6.22 6.22 600.0 7
Carbonic anhydrase 2
CHEMBL205
 Ki 4.4 4.4 40000.0 17
Carbonic anhydrase
CHEMBL3932
 Ki 4.3 4.3 50000.0 3
Unchecked
CHEMBL612545
 Ki 4.13 4.07 74000.0 8
Trypanosoma cruzi
CHEMBL368
 Ki 4.11 4.11 78000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Carbonic anhydrase 1 Ki = 600.0 nM 6.22 Inhibition of recombinant human carbonic anhydrase 1 after 15 mins by stopped fl... 21570835
Carbonic anhydrase 1 Ki = 600.0 nM 6.22 Inhibition of human cytosolic carbonic anhydrase 1 preincubated for 15 mins by s... 23072866
Carbonic anhydrase 1 Ki = 600.0 nM 6.22 Inhibition of human recombinant wild type CA1 by stopped-flow CO2 hydration meth... 23200251
Carbonic anhydrase 1 Ki = 600.0 nM 6.22 Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flo... 23414807
Carbonic anhydrase 1 Ki = 600.0 nM 6.22 Inhibition of human carbonic anhydrase-1 at 20 degC preincubated for 15 mins by ... 23790722
Carbonic anhydrase 1 Ki = 600.0 nM 6.22 Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flo... 25168745
Carbonic anhydrase 1 Ki = 600.0 nM 6.22 Inhibition of human carbonic anhydrase 1 after 15 mins by CO2 hydrase assay at p... 21377369
Carbonic anhydrase 2 Ki = 40000.0 nM 4.4 Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flo... 25168748
Carbonic anhydrase 2 Ki = 40000.0 nM 4.4 Inhibition of human CA2 incubated for 15 mins by stopped-flow CO2 hydration assa... 28754318
Carbonic anhydrase 2 Ki = 40000.0 nM 4.4 Inhibition of recombinant human carbonic anhydrase 2 assessed as inhibition of C... 28238511
Carbonic anhydrase 2 Ki = 40000.0 nM 4.4 Inhibition of human recombinant carbonic anhydrase 2 assessed as inhibition of C... 27914949
Carbonic anhydrase 2 Ki = 40000.0 nM 4.4 Inhibition of human carbonic anhydrase-2 by CO2 hydration reaction based colorim... 26068018
Carbonic anhydrase 2 Ki = 40000.0 nM 4.4 Inhibition of human CA2 after 15 mins by stopped-flow/Co2 hydration assay 26145820
Carbonic anhydrase 2 Ki = 40000.0 nM 4.4 Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flo... 25168745
Carbonic anhydrase 2 Ki = 40000.0 nM 4.4 Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay 24461298
Carbonic anhydrase 2 Ki = 40000.0 nM 4.4 Inhibition of human carbonic anhydrase-2 at 20 degC preincubated for 15 mins by ... 23790722
Carbonic anhydrase 2 Ki = 40000.0 nM 4.4 Inhibition of human recombinant CA2 by CO2 hydration assay 23769640
Carbonic anhydrase 2 Ki = 40000.0 nM 4.4 Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flo... 23414807
Carbonic anhydrase 2 Ki = 40000.0 nM 4.4 Inhibition of human cytosolic carbonic anhydrase-2 preincubated for 15 mins by s... 23414801
Carbonic anhydrase 2 Ki = 40000.0 nM 4.4 Inhibition of human recombinant wild type CA2 by stopped-flow CO2 hydration meth... 23200251

Literature References

PubMed DOI Target Context # Activities
26809888 10.1021/acs.jmedchem.5b01223 Oryctolagus cuniculus 8
27914949 10.1016/j.bmc.2016.11.021 Unchecked 4
38944936 10.1016/j.ejmech.2024.116636 No relevant target 4
23200251 10.1016/j.bmcl.2012.10.103 Unchecked 3
26145820 10.1016/j.bmc.2015.06.021 Unchecked 3
22835873 10.1016/j.bmcl.2012.06.106 Unchecked 2
24461298 10.1016/j.bmcl.2013.12.124 Unchecked 2
24900583 10.1021/ml400239a No relevant target 2
23414801 10.1016/j.bmcl.2013.01.087 Unchecked 2
28238511 10.1016/j.bmc.2017.02.032 Unchecked 2
21570835 10.1016/j.bmcl.2011.04.105 Unchecked 2
35483137 10.1016/j.bmc.2022.116776 Aortic ring 2
23790722 10.1016/j.bmc.2013.05.058 Unchecked 2
25168748 10.1016/j.bmcl.2014.08.014 Unchecked 2
28754318 10.1016/j.bmc.2017.07.033 Unchecked 2
23414807 10.1016/j.bmcl.2013.01.084 Unchecked 2
22436388 10.1016/j.bmc.2012.02.028 Molecular identity unknown 1
23072866 10.1016/j.bmcl.2012.09.065 Unchecked 1
22436388 10.1016/j.bmc.2012.02.028 No relevant target 1
21570835 10.1016/j.bmcl.2011.04.105 Carbonic anhydrase 1 1

Data from ChEMBL 36 via Core Engine