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Compound Detail

CHEMBL387462

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CC(=O)N[C@H](C)C(=O)N1CCC[C@H]1B(O)O

Basic Information

ChEMBL ID CHEMBL387462
Phase Preclinical
Structure Type MOL
InChI Key METFGSCNIQTFJC-SVRRBLITSA-N
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

228.1
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H17BN2O4
MW 228.06

Activity Summary

IC50 2 meas. best 6.89
Ki 2 meas. best 6.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prolyl endopeptidase
CHEMBL3202
IC50 6.89 6.89 130.0 1
Prolyl endopeptidase FAP
CHEMBL4683
Ki 6.46 6.46 350.0 1
Prolyl endopeptidase
CHEMBL3202
Ki 5.57 5.57 2705.0 1
Prolyl endopeptidase FAP
CHEMBL4683
IC50 5.54 5.54 2900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17174090 10.1016/j.bmcl.2006.11.072 Dipeptidyl peptidase 4 1
17174090 10.1016/j.bmcl.2006.11.072 Prolyl endopeptidase 1
17174090 10.1016/j.bmcl.2006.11.072 Prolyl endopeptidase FAP 1
23594271 10.1021/jm400351a Prolyl endopeptidase 1
23594271 10.1021/jm400351a Prolyl endopeptidase FAP 1
23594271 10.1021/jm400351a Unchecked 1

Data from ChEMBL 36 via Core Engine