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Compound Detail

CHEMBL89295

SODIUM AZIDE
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[N-]=[N+]=[N-].[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL89295
Name SODIUM AZIDE
Phase Preclinical
Structure Type MOL
InChI Key PXIPVTKHYLBLMZ-UHFFFAOYSA-N
Parent Compound CHEMBL79455
Active Moiety CHEMBL79455
4
Targets
71
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

42.0
MW (Da)
0.87
ALogP
0
HBA
0
HBD
58.7
PSA (Ų)
0.22
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 N3Na
MW 65.01
Aromatic Rings 0
Heavy Atoms 3
NP-Likeness 0.56

Activity Summary

Ki 65 meas. best 5.92
IC50 6 meas. best 5.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Carbonic anhydrase 1
CHEMBL261
 Ki 5.92 5.92 1200.0 8
Human immunodeficiency virus type 1 integrase
CHEMBL3471
 IC50 5.92 5.92 1200.0 1
Carbonic anhydrase 9
CHEMBL3594
 Ki 5.3 5.3 5000.0 1
Unchecked
CHEMBL612545
 Ki 4.17 4.14 68000.0 6

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human immunodeficiency virus type 1 integrase IC50 = 1200.0 nM 5.92 Inhibition of full-length recombinant HIV1 integrase 21227704
Carbonic anhydrase 1 Ki = 1200.0 nM 5.92 Inhibition of human carbonic anhydrase 1 by Lineweaver-Burk curves 21211980
Carbonic anhydrase 1 Ki = 1200.0 nM 5.92 Inhibition of human carbonic anhydrase 1 after 15 mins by CO2 hydrase assay at p... 21377369
Carbonic anhydrase 1 Ki = 1200.0 nM 5.92 Inhibition of recombinant human carbonic anhydrase 1 after 15 mins by stopped fl... 21570835
Carbonic anhydrase 1 Ki = 1200.0 nM 5.92 Inhibition of human cytosolic carbonic anhydrase 1 preincubated for 15 mins by s... 23072866
Carbonic anhydrase 1 Ki = 1200.0 nM 5.92 Inhibition of human recombinant wild type CA1 by stopped-flow CO2 hydration meth... 23200251
Carbonic anhydrase 1 Ki = 1200.0 nM 5.92 Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flo... 23414807
Carbonic anhydrase 1 Ki = 1200.0 nM 5.92 Inhibition of human carbonic anhydrase-1 at 20 degC preincubated for 15 mins by ... 23790722
Carbonic anhydrase 1 Ki = 1200.0 nM 5.92 Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flo... 25168745
Carbonic anhydrase 9 Ki = 5000.0 nM 5.3 Inhibition of human carbonic anhydrase 9 by Lineweaver-Burk curves 21211980
Unchecked Ki = 68000.0 nM 4.17 Inhibition of human recombinant CA10 mutant after 15 mins by stopped-flow CO2 hy... 23200251
Unchecked Ki = 73000.0 nM 4.14 Inhibition of Porphyromonas gingivalis recombinant CA by CO2 hydration assay 23769640
Unchecked Ki = 73000.0 nM 4.14 Inhibition of Porphyromonas gingivalis gamma-carbonic anhydrase preincubated for... 25168748
Unchecked Ki = 73000.0 nM 4.14 Inhibition of Porphyromonas gingivalis CA after 15 mins by stopped-flow/Co2 hydr... 26145820
Unchecked Ki = 73000.0 nM 4.14 Inhibition of Porphyromonas gingivalis recombinant carbonic anhydrase gamma asse... 27914949
Unchecked Ki = 77000.0 nM 4.11 Inhibition of Legionella pneumophila carbonic anhydrase 1 preincubated for 15 mi... 24461298

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
38305199 10.1021/acs.jmedchem.3c01745 ADMET 3
21715177 10.1016/j.bmc.2011.05.041 Laccase 3
23200251 10.1016/j.bmcl.2012.10.103 Unchecked 3
26112378 10.1016/j.ejmech.2015.06.005 Salmonella typhimurium 3
31537425 10.1016/j.bmcl.2019.126679 ADMET 3
25168748 10.1016/j.bmcl.2014.08.014 Unchecked 2
19278021 10.1002/ps.1747 Unchecked 2
23414807 10.1016/j.bmcl.2013.01.084 Unchecked 2
26560050 10.1016/j.ejmech.2015.10.051 Salmonella typhimurium 2
18207412 10.1016/j.bmc.2007.12.052 Liver 2
26948407 10.1021/acs.jmedchem.5b00608 Salmonella typhimurium 2
25791675 10.1016/j.ejmech.2015.03.011 Salmonella typhimurium 2
27586460 10.1021/acs.jnatprod.6b00256 Leishmania infantum 2
22835873 10.1016/j.bmcl.2012.06.106 Unchecked 2
21227704 10.1016/j.bmc.2010.12.031 Human immunodeficiency virus type 1 integrase 2
24291042 10.1016/j.bmcl.2013.11.014 Human immunodeficiency virus type 1 integrase 2
23790722 10.1016/j.bmc.2013.05.058 Unchecked 2
23414801 10.1016/j.bmcl.2013.01.087 Unchecked 2

Data from ChEMBL 36 via Core Engine