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Compound Detail

CHEMBL2333026

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C[C@@H](NC(=O)c1ccncc1)C(=O)N1CCC[C@H]1B(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2333026
Phase Preclinical
Structure Type MOL
InChI Key DRBWRJPFNOBNIO-KOLCDFICSA-N
5
Targets
11
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

291.1
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H18BN3O4
MW 291.12

Activity Summary

IC50 9 meas. best 7.6
Ki 2 meas. best 8.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prolyl endopeptidase FAP
CHEMBL4683
 Ki 8.05 8.05 9.0 1
Prolyl endopeptidase FAP
CHEMBL4683
 IC50 7.6 7.4933 25.0 3
Prolyl endopeptidase FAP
CHEMBL5769
 IC50 7.6 7.6 25.0 1
Prolyl endopeptidase
CHEMBL3202
 IC50 6.0 5.63 990.0 3
Prolyl endopeptidase
CHEMBL3202
 Ki 5.51 5.51 3100.0 1
Dipeptidyl peptidase 9
CHEMBL4793
 IC50 5.47 5.47 3400.0 1
Dipeptidyl peptidase 8
CHEMBL4657
 IC50 5.25 5.25 5600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prolyl endopeptidase FAP Ki = 9.0 nM 8.05 Competitive inhibition of human FAP using Suc-GP-AMC as substrate by Lineweaver-... 23594271
Prolyl endopeptidase FAP IC50 = 25.0 nM 7.6 Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using ... 24617858
Prolyl endopeptidase FAP IC50 = 25.0 nM 7.6 Inhibition of FAP (unknown origin) using AMC substrate by fluorometric assay 33571650
Prolyl endopeptidase FAP IC50 = 36.0 nM 7.44 Inhibition of human FAP using Z-Gly-Pro-AMC as substrate preincubated for 10 min... 23594271
Prolyl endopeptidase FAP IC50 = 36.0 nM 7.44 Inhibition of FAP (unknown origin) 35797897
Prolyl endopeptidase IC50 = 990.0 nM 6.0 Inhibition of recombinant human PREP purified from Escherichia coli using Z-Gly-... 24617858
Prolyl endopeptidase IC50 = 990.0 nM 6.0 Inhibition of PREP (unknown origin) using AMC substrate by fluorometric assay 33571650
Prolyl endopeptidase Ki = 3100.0 nM 5.51 Competitive inhibition of human PREP using Suc-GP-AMC as substrate by Lineweaver... 23594271
Dipeptidyl peptidase 9 IC50 = 3400.0 nM 5.47 Inhibition of human DPP9 using H-Gly-Pro-AMC as substrate preincubated for 10 mi... 23594271
Dipeptidyl peptidase 8 IC50 = 5600.0 nM 5.25 Inhibition of human DPP8 using H-Gly-Pro-AMC as substrate preincubated for 10 mi... 23594271
Prolyl endopeptidase IC50 = 13000.0 nM 4.89 Inhibition of human PREP using Z-Gly-Pro-AMC as substrate preincubated for 10 mi... 23594271

Literature References

PubMed DOI Target Context # Activities
23594271 10.1021/jm400351a Prolyl endopeptidase 4
23594271 10.1021/jm400351a Prolyl endopeptidase FAP 3
23594271 10.1021/jm400351a Unchecked 3
24617858 10.1021/jm500031w Unchecked 2
35797897 10.1016/j.ejmech.2022.114543 Prolyl endopeptidase FAP 1
35797897 10.1016/j.ejmech.2022.114543 Unchecked 1
33571650 10.1016/j.bmcl.2021.127846 Dipeptidyl peptidase 9 1
33571650 10.1016/j.bmcl.2021.127846 Dipeptidyl peptidase 2 1
33571650 10.1016/j.bmcl.2021.127846 Prolyl endopeptidase 1
33571650 10.1016/j.bmcl.2021.127846 Dipeptidyl peptidase 4 1
33571650 10.1016/j.bmcl.2021.127846 Prolyl endopeptidase FAP 1
31393718 10.1021/acs.jmedchem.9b00642 Prolyl endopeptidase 1
31393718 10.1021/acs.jmedchem.9b00642 Prolyl endopeptidase FAP 1
24617858 10.1021/jm500031w Dipeptidyl peptidase 2 1
24617858 10.1021/jm500031w Dipeptidyl peptidase 4 1
24617858 10.1021/jm500031w Prolyl endopeptidase 1
24617858 10.1021/jm500031w Prolyl endopeptidase FAP 1
23594271 10.1021/jm400351a HEK293 1
23594271 10.1021/jm400351a Dipeptidyl peptidase 4 1
23594271 10.1021/jm400351a Dipeptidyl peptidase 8 1

Data from ChEMBL 36 via Core Engine