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Compound Detail

CHEMBL2207071

SODIUM FULMINATE
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[C-]#[N+][O-].[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2207071
Name SODIUM FULMINATE
Phase Preclinical
Structure Type MOL
InChI Key LIXWSNVLHFNXAJ-UHFFFAOYSA-N
Parent Compound CHEMBL2220234
Active Moiety CHEMBL2220234
3
Targets
21
Activities
1
Assay Types
0
PK Parameters
18
Publications
0
Known Names

Molecular Properties

42.0
MW (Da)
0.40
ALogP
1
HBA
0
HBD
27.4
PSA (Ų)
0.28
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 2.07

Activity Summary

Ki 21 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 2
Carbonic anhydrase 2
CHEMBL205
 Ki 4.52 4.52 30000.0 7
Carbonic anhydrase
CHEMBL3932
 Ki 4.05 4.05 90000.0 1

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 human cytosolic carbonic anhydrase 1 preincubated for 15 mins by s... 23072866
Carbonic anhydrase 1 Ki = 700.0 nM 6.16 Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flo... 25168745
Carbonic anhydrase 2 Ki = 30000.0 nM 4.52 Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 mins by s... 23072866
Carbonic anhydrase 2 Ki = 30000.0 nM 4.52 Inhibition of human cytosolic carbonic anhydrase-2 preincubated for 15 mins by s... 23414801
Carbonic anhydrase 2 Ki = 30000.0 nM 4.52 Inhibition of human recombinant CA2 by CO2 hydration assay 23769640
Carbonic anhydrase 2 Ki = 30000.0 nM 4.52 Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 mins by s... 24210500
Carbonic anhydrase 2 Ki = 30000.0 nM 4.52 Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flo... 25168745
Carbonic anhydrase 2 Ki = 30000.0 nM 4.52 Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flo... 25168748
Carbonic anhydrase 2 Ki = 30000.0 nM 4.52 Inhibition of recombinant human carbonic anhydrase 2 assessed as inhibition of C... 28238511
Carbonic anhydrase Ki = 90000.0 nM 4.05 Inhibition of Methanosarcina thermophila recombinant gamma-CA by CO2 hydration a... 23769640

Literature References

PubMed DOI Target Context # Activities
28238511 10.1016/j.bmc.2017.02.032 Unchecked 2
23414801 10.1016/j.bmcl.2013.01.087 Unchecked 2
25168748 10.1016/j.bmcl.2014.08.014 Unchecked 2
24210500 10.1016/j.bmcl.2013.10.037 Carbonic anhydrase 2 1
28238511 10.1016/j.bmc.2017.02.032 Carbonic anhydrase 2 1
27480028 10.1016/j.bmc.2016.07.034 Unchecked 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
23072866 10.1016/j.bmcl.2012.09.065 Unchecked 1
24210500 10.1016/j.bmcl.2013.10.037 Unchecked 1
23769640 10.1016/j.bmcl.2013.05.063 Carbonic anhydrase 2 1
23769640 10.1016/j.bmcl.2013.05.063 Carbonic anhydrase 1
23769640 10.1016/j.bmcl.2013.05.063 Unchecked 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