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Compound Detail

CHEMBL1243373

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O=C(NCC(=O)N1CCC[C@H]1B(O)O)c1cccc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1243373
Phase Preclinical
Structure Type MOL
InChI Key QVGIJGPVKMNEPA-HNNXBMFYSA-N
4
Targets
8
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

326.2
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19BN2O4
MW 326.16

Activity Summary

IC50 7 meas. best 8.74
Ki 1 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prolyl endopeptidase
CHEMBL3202
 IC50 8.74 8.74 1.8 1
Prolyl endopeptidase FAP
CHEMBL4683
 IC50 8.64 8.18 2.3 2
Prolyl endopeptidase FAP
CHEMBL4683
 Ki 8.1 8.1 7.9 1
Dipeptidyl peptidase 9
CHEMBL4793
 IC50 6.38 5.975 420.0 2
Dipeptidyl peptidase 8
CHEMBL4657
 IC50 5.92 5.675 1200.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prolyl endopeptidase IC50 = 1.8 nM 8.74 Inhibition of human PREP using Z-Gly-Pro-AMC as substrate preincubated for 10 mi... 23594271
Prolyl endopeptidase FAP IC50 = 2.3 nM 8.64 Inhibition of human FAP using Z-Gly-Pro-AMC as substrate preincubated for 10 min... 23594271
Prolyl endopeptidase FAP Ki = 7.9 nM 8.1 Competitive inhibition of human recombinant FAP expressed in Hi5 insect cells by... 20718420
Prolyl endopeptidase FAP IC50 = 19.0 nM 7.72 Inhibition of human recombinant FAP expressed in Hi5 insect cells 20718420
Dipeptidyl peptidase 9 IC50 = 420.0 nM 6.38 Inhibition of human DPP9 using H-Gly-Pro-AMC as substrate preincubated for 10 mi... 23594271
Dipeptidyl peptidase 8 IC50 = 1200.0 nM 5.92 Inhibition of human DPP8 using H-Gly-Pro-AMC as substrate preincubated for 10 mi... 23594271
Dipeptidyl peptidase 9 IC50 = 2700.0 nM 5.57 Inhibition of human recombinant His-tagged DPP9 expressed in insect cells 20718420
Dipeptidyl peptidase 8 IC50 = 3700.0 nM 5.43 Inhibition of human recombinant His-tagged DPP8 expressed in insect cells 20718420

Literature References

PubMed DOI Target Context # Activities
23594271 10.1021/jm400351a Prolyl endopeptidase 3
20718420 10.1021/jm1002556 Prolyl endopeptidase FAP 2
20718420 10.1021/jm1002556 Dipeptidyl peptidase 8 1
20718420 10.1021/jm1002556 Dipeptidyl peptidase 9 1
20718420 10.1021/jm1002556 Dipeptidyl peptidase 2 1
20718420 10.1021/jm1002556 Dipeptidyl peptidase 4 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