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Compound Detail

CHEMBL194625

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CCCC[C@@H](NC(=O)[C@@H]1CCCN1)B(O)O

Basic Information

ChEMBL ID CHEMBL194625
Phase Preclinical
Structure Type MOL
InChI Key OFTDJSJGSZPHQD-DTWKUNHWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

228.1
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H21BN2O3
MW 228.10

Activity Summary

IC50 1 meas. best 6.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dipeptidyl peptidase 2
CHEMBL3976
IC50 6.05 6.05 890.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dipeptidyl peptidase 2 IC50 = 890.0 nM 6.05 Inhibitory concentration against human dipeptidylpeptidase 7 16084722

Literature References

PubMed DOI Target Context # Activities
16084722 10.1016/j.bmcl.2005.06.076 Dipeptidyl peptidase 2 1
16084722 10.1016/j.bmcl.2005.06.076 Dipeptidyl peptidase 4 1
16084722 10.1016/j.bmcl.2005.06.076 Prolyl endopeptidase FAP 1
16084722 10.1016/j.bmcl.2005.06.076 Dipeptidyl peptidase 8 1
16084722 10.1016/j.bmcl.2005.06.076 Dipeptidyl peptidase 9 1

Data from ChEMBL 36 via Core Engine