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Compound Detail

CHEMBL385817

EBSELEN DISELENIDE
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O=C(Nc1ccccc1)c1ccccc1[Se][Se]c1ccccc1C(=O)Nc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL385817
Name EBSELEN DISELENIDE
Phase Preclinical
Structure Type MOL
InChI Key FTRFOFPAMKYZPH-UHFFFAOYSA-N
3
Targets
8
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

550.4
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H20N2O2Se2
MW 550.38

Activity Summary

IC50 6 meas. best 6.64
Ki 2 meas. best 8.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 8.03 8.03 9.4 1
Methionine aminopeptidase 2
CHEMBL3922
 IC50 6.64 6.64 230.0 1
Urease subunit alpha/Urease subunit beta
CHEMBL3885651
 Ki 6.19 6.19 651.0 1
Urease subunit alpha/Urease subunit beta
CHEMBL3885651
 IC50 5.17 4.65 6700.0 4
Unchecked
CHEMBL612545
 IC50 4.3 4.3 50000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 9.44 nM 8.03 Steady state inhibition of Sporosarcina pasteurii CCM 2056 urease using urea as ... 27524377
Methionine aminopeptidase 2 IC50 = 230.0 nM 6.64 Non-covalent/mixed type inhibition of recombinant human MetAP2 using Met-AMC as ... 27692546
Urease subunit alpha/Urease subunit beta Ki = 651.0 nM 6.19 Inhibition of recombinant Helicobacter pylori urease expressed in Escherichia co... 27524377
Urease subunit alpha/Urease subunit beta IC50 = 6700.0 nM 5.17 Inhibition of urease in Helicobacter pylori J99 in Brucella broth using urea as ... 27524377
Urease subunit alpha/Urease subunit beta IC50 = 10900.0 nM 4.96 Inhibition of recombinant Helicobacter pylori urease expressed in Escherichia co... 27524377
Urease subunit alpha/Urease subunit beta IC50 = 38700.0 nM 4.41 Inhibition of urease in Helicobacter pylori J99 in Brucella broth using urea as ... 27524377
Unchecked IC50 = 50000.0 nM 4.3 Inhibition of horseradish peroxidase by spectrophotometric method 16919452
Urease subunit alpha/Urease subunit beta IC50 = 87000.0 nM 4.06 Inhibition of recombinant Helicobacter pylori urease expressed in Escherichia co... 27524377

Literature References

PubMed DOI Target Context # Activities
27524377 10.1021/acs.jmedchem.6b00986 Urease subunit alpha/Urease subunit beta 6
16919452 10.1016/j.bmcl.2006.07.085 Unchecked 3
27524377 10.1021/acs.jmedchem.6b00986 Unchecked 3
27692546 10.1016/j.bmcl.2016.09.050 Aminopeptidase N 2
16919452 10.1016/j.bmcl.2006.07.085 NON-PROTEIN TARGET 1
27692546 10.1016/j.bmcl.2016.09.050 Leucine aminopeptidase 1
27692546 10.1016/j.bmcl.2016.09.050 Methionine aminopeptidase 2 1

Data from ChEMBL 36 via Core Engine