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Compound Detail

CHEMBL2164462

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Nc1ccc(CC(C[Se][Se]CC(Cc2ccc(N)nc2)C(=O)O)C(=O)O)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2164462
Phase Preclinical
Structure Type MOL
InChI Key MYECLQPAUDYVIW-UHFFFAOYSA-N
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

516.3
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22N4O4Se2
MW 516.32

Activity Summary

IC50 6 meas. best 9.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Carboxypeptidase B
CHEMBL4065
 IC50 9.72 8.135 0.2 2
Unchecked
CHEMBL612545
 IC50 9.54 7.46 0.3 2
Carboxypeptidase B2
CHEMBL3419
 IC50 6.7 6.7 200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Carboxypeptidase B IC50 = 0.19 nM 9.72 Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incub... 22891675
Unchecked IC50 = 0.29 nM 9.54 Inhibition of human carboxypeptidase N using Hip-Lys as substrate incubated for ... 22891675
Carboxypeptidase B2 IC50 = 200.0 nM 6.7 Inhibition of human activated TAFI using Hip-Arg as substrate incubated for 10 m... 22891675
Carboxypeptidase B IC50 = 280.0 nM 6.55 Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incub... 22891675
Unchecked IC50 = 4200.0 nM 5.38 Inhibition of human carboxypeptidase N using Hip-Lys as substrate incubated for ... 22891675

Literature References

PubMed DOI Target Context # Activities
22891675 10.1021/jm300735t Carboxypeptidase B2 3
22891675 10.1021/jm300735t Unchecked 3
22891675 10.1021/jm300735t Carboxypeptidase B 2

Data from ChEMBL 36 via Core Engine