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Compound Detail

CHEMBL4127473

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CCC(=O)[Se]CC(Cc1cnc(N)c(Cl)c1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4127473
Phase Preclinical
Structure Type MOL
InChI Key DMSZKGIZIIXNLW-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

349.7
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H15ClN2O3Se
MW 349.68

Activity Summary

IC50 4 meas. best 8.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Carboxypeptidase B2
CHEMBL3419
 IC50 8.82 8.82 1.5 1
Carboxypeptidase B
CHEMBL4065
 IC50 7.54 6.57 29.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Carboxypeptidase B2 IC50 = 1.5 nM 8.82 Inhibition of human plasma activated thrombin-activatable fibrinolysis inhibitor... 29859906
Carboxypeptidase B IC50 = 29.0 nM 7.54 Inhibition of porcine pancreas carboxypeptidase B after 10 mins in presence of D... 29859906
Carboxypeptidase B IC50 = 2500.0 nM 5.6 Inhibition of porcine pancreas carboxypeptidase B after 10 mins in absence of DT... 29859906

Literature References

PubMed DOI Target Context # Activities
29859906 10.1016/j.bmcl.2018.05.042 Carboxypeptidase N catalytic chain 2
29859906 10.1016/j.bmcl.2018.05.042 Carboxypeptidase B 2
29859906 10.1016/j.bmcl.2018.05.042 Carboxypeptidase B2 2
29859906 10.1016/j.bmcl.2018.05.042 Unchecked 1

Data from ChEMBL 36 via Core Engine