Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL1644696

SODIUM CYANATE
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace

Basic Information

ChEMBL ID CHEMBL1644696
Name SODIUM CYANATE
Phase Preclinical
Structure Type MOL
InChI Key ZVCDLGYNFYZZOK-UHFFFAOYSA-M
Parent Compound CHEMBL1161700
Active Moiety CHEMBL1161700
5
Targets
45
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

43.0
MW (Da)
-0.16
ALogP
2
HBA
1
HBD
44.0
PSA (Ų)
0.38
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 CNNaO
MW 65.01
Aromatic Rings 0
Heavy Atoms 3
NP-Likeness -0.33

Activity Summary

Ki 45 meas. best 6.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Carbonic anhydrase 1
CHEMBL261
 Ki 6.16 6.16 700.0 5
Carbonic anhydrase 2
CHEMBL205
 Ki 4.52 4.52 30000.0 10
Unchecked
CHEMBL612545
 Ki 4.12 4.0633 75000.0 3
Trypanosoma cruzi
CHEMBL368
 Ki 4.1 4.1 80000.0 1
Carbonic anhydrase
CHEMBL3932
 Ki 4.05 4.05 90000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Carbonic anhydrase 1 Ki = 700.0 nM 6.16 Inhibition of recombinant human carbonic anhydrase 1 after 15 mins by stopped fl... 21570835
Carbonic anhydrase 1 Ki = 700.0 nM 6.16 Inhibition of human recombinant wild type CA1 by stopped-flow CO2 hydration meth... 23200251
Carbonic anhydrase 1 Ki = 700.0 nM 6.16 Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flo... 23414807
Carbonic anhydrase 1 Ki = 700.0 nM 6.16 Inhibition of human carbonic anhydrase-1 at 20 degC preincubated for 15 mins by ... 23790722
Carbonic anhydrase 1 Ki = 700.0 nM 6.16 Inhibition of human carbonic anhydrase 1 after 15 mins by CO2 hydrase assay at p... 21377369
Carbonic anhydrase 2 Ki = 30000.0 nM 4.52 Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay 24461298
Carbonic anhydrase 2 Ki = 30000.0 nM 4.52 Inhibition of human CA2 incubated for 15 mins by stopped-flow CO2 hydration assa... 28754318
Carbonic anhydrase 2 Ki = 30000.0 nM 4.52 Inhibition of human recombinant carbonic anhydrase 2 assessed as inhibition of C... 27914949
Carbonic anhydrase 2 Ki = 30000.0 nM 4.52 Inhibition of human carbonic anhydrase-2 by CO2 hydration reaction based colorim... 26068018
Carbonic anhydrase 2 Ki = 30000.0 nM 4.52 Inhibition of human CA2 after 15 mins by stopped-flow/Co2 hydration assay 26145820
Carbonic anhydrase 2 Ki = 30000.0 nM 4.52 Inhibition of human carbonic anhydrase-2 at 20 degC preincubated for 15 mins by ... 23790722
Carbonic anhydrase 2 Ki = 30000.0 nM 4.52 Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flo... 23414807
Carbonic anhydrase 2 Ki = 30000.0 nM 4.52 Inhibition of human recombinant wild type CA2 by stopped-flow CO2 hydration meth... 23200251
Carbonic anhydrase 2 Ki = 30000.0 nM 4.52 Inhibition of recombinant human carbonic anhydrase 2 after 15 mins by stopped fl... 21570835
Carbonic anhydrase 2 Ki = 30000.0 nM 4.52 Inhibition of human carbonic anhydrase 2 after 15 mins by CO2 hydrase assay at p... 21377369
Unchecked Ki = 75000.0 nM 4.12 Inhibition of Vibrio cholerae alpha carbonic anhydrase preincubated for 15 mins ... 23414807
Trypanosoma cruzi Ki = 80000.0 nM 4.1 Inhibition of recombinant Trypanosoma cruzi CL Brener alpha carbonic anhydrase e... 23790722
Unchecked Ki = 87000.0 nM 4.06 Inhibition of Leptonychotes weddellii alpha-carbonic anhydrase after 15 mins by ... 21377369
Carbonic anhydrase Ki = 90000.0 nM 4.05 Inhibition of archaeon Methanosarcina thermophila gamma-CA after 15 mins by stop... 26145820
Carbonic anhydrase Ki = 90000.0 nM 4.05 Inhibition of Methanosarcina thermophila recombinant carbonic anhydrase gamma as... 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
23200251 10.1016/j.bmcl.2012.10.103 Unchecked 3
24461298 10.1016/j.bmcl.2013.12.124 Unchecked 2
23790722 10.1016/j.bmc.2013.05.058 Unchecked 2
21570835 10.1016/j.bmcl.2011.04.105 Unchecked 2
28754318 10.1016/j.bmc.2017.07.033 Unchecked 2
22835873 10.1016/j.bmcl.2012.06.106 Unchecked 2
23414807 10.1016/j.bmcl.2013.01.084 Unchecked 2
23200251 10.1016/j.bmcl.2012.10.103 Carbonic anhydrase 2 1
23790722 10.1016/j.bmc.2013.05.058 Carbonic anhydrase 2 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
23200251 10.1016/j.bmcl.2012.10.103 Carbonic anhydrase 1 1
21163660 10.1016/j.bmc.2010.11.031 Unchecked 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
21377369 10.1016/j.bmc.2011.02.015 Unchecked 1
21377369 10.1016/j.bmc.2011.02.015 Carbonic anhydrase 2 1

Data from ChEMBL 36 via Core Engine