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Compound Detail

CHEMBL398076

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CCCC[C@H](NC(=O)[C@@H](N)CCN)B(O)O

Basic Information

ChEMBL ID CHEMBL398076
Phase Preclinical
Structure Type MOL
InChI Key JAXKDVVQQUKJKR-YUMQZZPRSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

231.1
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H22BN3O3
MW 231.10

Activity Summary

IC50 3 meas. best 9.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dipeptidyl peptidase 2
CHEMBL3976
IC50 9.32 9.32 0.5 1
Dipeptidyl peptidase 9
CHEMBL4793
IC50 6.1 6.1 800.0 1
Dipeptidyl peptidase 8
CHEMBL4657
IC50 5.37 5.37 4300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dipeptidyl peptidase 2 IC50 = 0.48 nM 9.32 Inhibition of human DPP2 17055271
Dipeptidyl peptidase 9 IC50 = 800.0 nM 6.1 Inhibition of human DPP9 17055271
Dipeptidyl peptidase 8 IC50 = 4300.0 nM 5.37 Inhibition of human DPP8 17055271

Literature References

PubMed DOI Target Context # Activities
17055271 10.1016/j.bmcl.2006.10.012 Dipeptidyl peptidase 2 2
17055271 10.1016/j.bmcl.2006.10.012 Unchecked 1
17055271 10.1016/j.bmcl.2006.10.012 Dipeptidyl peptidase 4 1
17055271 10.1016/j.bmcl.2006.10.012 Prolyl endopeptidase FAP 1
17055271 10.1016/j.bmcl.2006.10.012 Dipeptidyl peptidase 8 1
17055271 10.1016/j.bmcl.2006.10.012 Dipeptidyl peptidase 9 1
17055271 10.1016/j.bmcl.2006.10.012 Prolyl endopeptidase 1

Data from ChEMBL 36 via Core Engine