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Compound Detail

CHEMBL460842

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O=C(CNC12CC3CC(CC(C3)C1)C2)N1CCC[C@H]1B(O)O

Basic Information

ChEMBL ID CHEMBL460842
Phase Preclinical
Structure Type MOL
InChI Key PDSFQJYJMMJUTN-IXUJDMMCSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

306.2
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H27BN2O3
MW 306.21

Activity Summary

IC50 3 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dipeptidyl peptidase 4
CHEMBL284
IC50 8.1 8.1 8.0 1
Prolyl endopeptidase FAP
CHEMBL4683
IC50 7.34 7.34 46.0 1
Dipeptidyl peptidase 2
CHEMBL3976
IC50 6.38 6.38 420.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dipeptidyl peptidase 4 IC50 = 8.0 nM 8.1 Inhibition of DPP4 19217790
Prolyl endopeptidase FAP IC50 = 46.0 nM 7.34 Inhibition of FAP 19217790
Dipeptidyl peptidase 2 IC50 = 420.0 nM 6.38 Inhibition of DPP7 19217790

Literature References

PubMed DOI Target Context # Activities
19217790 10.1016/j.bmc.2009.01.061 Dipeptidyl peptidase 4 1
19217790 10.1016/j.bmc.2009.01.061 Prolyl endopeptidase FAP 1
19217790 10.1016/j.bmc.2009.01.061 Dipeptidyl peptidase 2 1

Data from ChEMBL 36 via Core Engine