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

CHEMBL67089

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

Basic Information

ChEMBL ID CHEMBL67089
Phase Preclinical
Structure Type MOL
InChI Key BZTBBVKEKPNNBE-YFKPBYRVSA-N
5
Targets
11
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

172.0
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H13BN2O3
MW 171.99

Activity Summary

IC50 8 meas. best 9.0
Ki 3 meas. best 9.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dipeptidyl peptidase 4
CHEMBL284
 Ki 9.4 9.4 0.4 1
Dipeptidyl peptidase 9
CHEMBL4793
 Ki 9.39 9.39 0.4 1
Dipeptidyl peptidase 4
CHEMBL284
 IC50 9.0 6.7125 1.0 4
Dipeptidyl peptidase 8
CHEMBL4657
 Ki 8.51 8.51 3.1 1
Prolyl endopeptidase FAP
CHEMBL4683
 IC50 7.28 7.28 52.0 1
Dipeptidyl peptidase 9
CHEMBL4793
 IC50 7.01 7.01 98.0 1
Dipeptidyl peptidase 8
CHEMBL4657
 IC50 6.75 6.75 180.0 1
Prolyl endopeptidase
CHEMBL3202
 IC50 4.33 4.33 47000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dipeptidyl peptidase 4 Ki = 0.4 nM 9.4 Inhibition of human placental DPP4 18783201
Dipeptidyl peptidase 9 Ki = 0.41 nM 9.39 Inhibition of human recombinant DPP9 expressed in HEK293T cells 18783201
Dipeptidyl peptidase 4 IC50 = 1.0 nM 9.0 Inhibition Assay: The inhibitor solution is prepared by dissolving 3-5 mg of inh... -
Dipeptidyl peptidase 8 Ki = 3.1 nM 8.51 Inhibition of human recombinant DPP8 expressed in HEK293T cells 18783201
Dipeptidyl peptidase 4 IC50 = 13.0 nM 7.89 Inhibition of human DPP4 using H-Gly-Pro-AMC as substrate preincubated for 10 mi... 23594271
Prolyl endopeptidase FAP IC50 = 52.0 nM 7.28 Inhibition of human FAP using Z-Gly-Pro-AMC as substrate preincubated for 10 min... 23594271
Dipeptidyl peptidase 9 IC50 = 98.0 nM 7.01 Inhibition of human DPP9 using H-Gly-Pro-AMC as substrate preincubated for 10 mi... 23594271
Dipeptidyl peptidase 8 IC50 = 180.0 nM 6.75 Inhibition of human DPP8 using H-Gly-Pro-AMC as substrate preincubated for 10 mi... 23594271
Dipeptidyl peptidase 4 IC50 = 7000.0 nM 5.16 Inhibition Assay: The inhibitor solution is prepared by dissolving 3-5 mg of inh... -
Dipeptidyl peptidase 4 IC50 = 16000.0 nM 4.8 In vitro for inhibition of Dipeptidylpeptidase IV. 8642568
Prolyl endopeptidase IC50 = 47000.0 nM 4.33 Inhibition of human PREP using Z-Gly-Pro-AMC as substrate preincubated for 10 mi... 23594271

Literature References

PubMed DOI Target Context # Activities
18783201 10.1021/jm800390n Unchecked 2
8642568 10.1021/jm950732f Dipeptidyl peptidase 4 1
18783201 10.1021/jm800390n Dipeptidyl peptidase 4 1
18783201 10.1021/jm800390n Dipeptidyl peptidase 8 1
18783201 10.1021/jm800390n Dipeptidyl peptidase 9 1
23594271 10.1021/jm400351a Prolyl endopeptidase 1
23594271 10.1021/jm400351a Prolyl endopeptidase FAP 1
23594271 10.1021/jm400351a Dipeptidyl peptidase 9 1
23594271 10.1021/jm400351a Dipeptidyl peptidase 8 1
23594271 10.1021/jm400351a Dipeptidyl peptidase 4 1
23594271 10.1021/jm400351a Unchecked 1

Data from ChEMBL 36 via Core Engine