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Compound Detail

CHEMBL216376

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

Basic Information

ChEMBL ID CHEMBL216376
Phase Preclinical
Structure Type MOL
InChI Key FYJNFZCANSKRDW-VIFPVBQESA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

256.1
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H21BN2O4
MW 256.11

Activity Summary

Ki 3 meas. best 7.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prolyl endopeptidase
CHEMBL3202
 Ki 7.89 7.89 13.0 1
Prolyl endopeptidase FAP
CHEMBL4683
 Ki 6.58 6.58 265.0 1
Dipeptidyl peptidase 4
CHEMBL284
 Ki 4.71 4.71 19500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prolyl endopeptidase Ki = 13.0 nM 7.89 Inhibitory constant against POP 17174090
Prolyl endopeptidase FAP Ki = 265.0 nM 6.58 Inhibitory constant against FAP 17174090
Dipeptidyl peptidase 4 Ki = 19500.0 nM 4.71 Inhibition constant against DPP-4 17174090

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

Data from ChEMBL 36 via Core Engine