Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL2164450

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Nc1ncc(CC(C[Se][Se]CC(Cc2cnc(N)c(Cl)c2)C(=O)O)C(=O)O)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2164450
Phase Preclinical
Structure Type MOL
InChI Key LKLRNWHRLUKWFJ-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

585.2
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20Cl2N4O4Se2
MW 585.21

Activity Summary

IC50 4 meas. best 10.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Carboxypeptidase B2
CHEMBL3419
 IC50 10.6 8.04 0.0 2
Carboxypeptidase B
CHEMBL4065
 IC50 8.82 8.82 1.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Carboxypeptidase B2 IC50 = 0.025 nM 10.6 Inhibition of human activated TAFI using Hip-Arg as substrate incubated for 10 m... 22891675
Carboxypeptidase B IC50 = 1.5 nM 8.82 Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incub... 22891675
Carboxypeptidase B2 IC50 = 3300.0 nM 5.48 Inhibition of human activated TAFI using Hip-Arg as substrate incubated for 10 m... 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