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

CHEMBL63895

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
O=C([C@@H]1CCCN1)N1CCC[C@H]1B(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL63895
Phase Preclinical
Structure Type MOL
InChI Key XSBZZZGVAIXJLD-YUMQZZPRSA-N
6
Targets
19
Activities
2
Assay Types
1
PK Parameters
7
Publications
0
Known Names

Molecular Properties

212.1
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C9H17BN2O3
MW 212.06

Activity Summary

IC50 18 meas. best 8.96
Ki 1 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dipeptidyl peptidase 4
CHEMBL284
 IC50 8.96 6.7975 1.1 4
Dipeptidyl peptidase 4
CHEMBL284
 Ki 8.52 8.52 3.0 1
Prolyl endopeptidase FAP
CHEMBL4683
 IC50 7.54 6.04 29.0 2
Dipeptidyl peptidase 2
CHEMBL3976
 IC50 7.27 5.8833 54.0 3
Unchecked
CHEMBL612545
 IC50 6.38 6.38 420.0 1
Dipeptidyl peptidase 9
CHEMBL4793
 IC50 5.46 5.46 3500.0 1
Dipeptidyl peptidase 8
CHEMBL4657
 IC50 4.89 4.89 13000.0 1

Pharmacokinetic Data

Parameter Value Units Species
T1/2 1.5 hr -

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dipeptidyl peptidase 4 IC50 = 1.1 nM 8.96 Inhibition Assay: The inhibitor solution is prepared by dissolving 3-5 mg of inh... -
Dipeptidyl peptidase 4 Ki = 3.0 nM 8.52 In vitro test for inhibitory activity against human dipeptidyl peptidase IV. -
Dipeptidyl peptidase 4 IC50 = 20.0 nM 7.7 In vitro for inhibition of Dipeptidylpeptidase IV. 8642568
Prolyl endopeptidase FAP IC50 = 29.0 nM 7.54 EnPlex (purified enzyme activity assay): This assay is described in Bachovchin e... -
Dipeptidyl peptidase 2 IC50 = 54.0 nM 7.27 EnPlex (purified enzyme activity assay): This assay is described in Bachovchin e... -
Unchecked IC50 = 420.0 nM 6.38 EnPlex (purified enzyme activity assay): This assay is described in Bachovchin e... -
Dipeptidyl peptidase 2 IC50 = 770.0 nM 6.11 Compound was tested in vitro for inhibition of Dipeptidylpeptidase II 8642568
Dipeptidyl peptidase 4 IC50 = 1300.0 nM 5.89 In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No.... -
Dipeptidyl peptidase 9 IC50 = 3500.0 nM 5.46 In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No.... -
Dipeptidyl peptidase 8 IC50 = 13000.0 nM 4.89 In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No.... -
Dipeptidyl peptidase 4 IC50 = 23000.0 nM 4.64 Inhibition Assay: The inhibitor solution is prepared by dissolving 3-5 mg of inh... -
Prolyl endopeptidase FAP IC50 = 29000.0 nM 4.54 In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No.... -
Dipeptidyl peptidase 2 IC50 = 54000.0 nM 4.27 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
8642568 10.1021/jm950732f Dipeptidyl peptidase 2 1
8642568 10.1021/jm950732f Prolyl endopeptidase 1
- 10.1016/0960-894X(96)00190-4 Dipeptidyl peptidase 4 1
- 10.1016/0960-894X(96)00190-4 ADMET 1
9464355 10.1021/jm970624o Aminopeptidase N 1
9464355 10.1021/jm970624o Dipeptidyl peptidase 4 1

Data from ChEMBL 36 via Core Engine