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Compound Detail

CHEMBL66032

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CC[C@H](N)C(=O)N1CCC[C@H]1B(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL66032
Phase Preclinical
Structure Type MOL
InChI Key PHCFSFBQEROREL-BQBZGAKWSA-N
7
Targets
15
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

200.1
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H17BN2O3
MW 200.05

Activity Summary

IC50 15 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dipeptidyl peptidase 4
CHEMBL284
 IC50 7.96 7.005 11.0 2
Unchecked
CHEMBL612545
 IC50 6.42 6.42 380.0 1
Dipeptidyl peptidase 8/9
CHEMBL3885564
 IC50 6.36 6.36 440.0 1
Dipeptidyl peptidase 2
CHEMBL3976
 IC50 5.54 5.54 2900.0 1
Dipeptidyl peptidase 9
CHEMBL4793
 IC50 5.22 5.22 6000.0 1
Dipeptidyl peptidase 8
CHEMBL4657
 IC50 4.64 4.64 23000.0 1
Prolyl endopeptidase FAP
CHEMBL4683
 IC50 4.38 4.38 42000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dipeptidyl peptidase 4 IC50 = 11.0 nM 7.96 In vitro for inhibition of Dipeptidylpeptidase IV. 8642568
Unchecked IC50 = 380.0 nM 6.42 EnPlex (purified enzyme activity assay): This assay is described in Bachovchin e... -
Dipeptidyl peptidase 8/9 IC50 = 440.0 nM 6.36 EnPlex (purified enzyme activity assay): This assay is described in Bachovchin e... -
Dipeptidyl peptidase 4 IC50 = 900.0 nM 6.05 In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No.... -
Dipeptidyl peptidase 2 IC50 = 2900.0 nM 5.54 In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No.... -
Dipeptidyl peptidase 9 IC50 = 6000.0 nM 5.22 In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No.... -
Dipeptidyl peptidase 8 IC50 = 23000.0 nM 4.64 In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No.... -
Prolyl endopeptidase FAP IC50 = 42000.0 nM 4.38 In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No.... -

Literature References

PubMed DOI Target Context # Activities
8642568 10.1021/jm950732f Dipeptidyl peptidase 4 1

Data from ChEMBL 36 via Core Engine