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Compound Detail

CHEMBL5925037

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N[C@H](C(=O)N1CCC[C@H]1B(O)O)C1(C(F)(F)F)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5925037
Phase Preclinical
Structure Type MOL
InChI Key DUQWZJWFTUCARE-NKWVEPMBSA-N
7
Targets
18
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

280.1
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H16BF3N2O3
MW 280.05

Activity Summary

IC50 18 meas. best 7.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dipeptidyl peptidase 4
CHEMBL284
 IC50 7.66 6.66 22.0 3
Dipeptidyl peptidase 8
CHEMBL4657
 IC50 7.62 6.62 24.0 3
Dipeptidyl peptidase 2
CHEMBL3976
 IC50 7.41 6.41 39.0 3
Presequence protease, mitochondrial
CHEMBL3124731
 IC50 7.24 7.24 58.0 1
Unchecked
CHEMBL612545
 IC50 7.24 5.74 58.0 2
Prolyl endopeptidase FAP
CHEMBL4683
 IC50 5.92 5.92 1200.0 2
Dipeptidyl peptidase 9
CHEMBL4793
 IC50 4.72 4.72 19000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dipeptidyl peptidase 4 IC50 = 22.0 nM 7.66 EnPlex (purified enzyme activity assay): This assay is described in Bachovchin e... -
Dipeptidyl peptidase 4 IC50 = 22.0 nM 7.66 In Vitro Inhibition Assay: Materials: Enzymes Recombinant human DPPIV (R&D Syste... -
Dipeptidyl peptidase 8 IC50 = 24.0 nM 7.62 EnPlex (purified enzyme activity assay): This assay is described in Bachovchin e... -
Dipeptidyl peptidase 8 IC50 = 24.0 nM 7.62 In Vitro Inhibition Assay: Materials: Enzymes Recombinant human DPPIV (R&D Syste... -
Dipeptidyl peptidase 2 IC50 = 39.0 nM 7.41 EnPlex (purified enzyme activity assay): This assay is described in Bachovchin e... -
Dipeptidyl peptidase 2 IC50 = 39.0 nM 7.41 In Vitro Inhibition Assay: Materials: Enzymes Recombinant human DPPIV (R&D Syste... -
Unchecked IC50 = 58.0 nM 7.24 EnPlex (purified enzyme activity assay): This assay is described in Bachovchin e... -
Presequence protease, mitochondrial IC50 = 58.0 nM 7.24 In Vitro Inhibition Assay: Materials: Enzymes Recombinant human DPPIV (R&D Syste... -
Prolyl endopeptidase FAP IC50 = 1200.0 nM 5.92 EnPlex (purified enzyme activity assay): This assay is described in Bachovchin e... -
Prolyl endopeptidase FAP IC50 = 1200.0 nM 5.92 In Vitro Inhibition Assay: Materials: Enzymes Recombinant human DPPIV (R&D Syste... -
Dipeptidyl peptidase 9 IC50 = 19000.0 nM 4.72 In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No.... -
Dipeptidyl peptidase 4 IC50 = 22000.0 nM 4.66 In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No.... -
Dipeptidyl peptidase 8 IC50 = 24000.0 nM 4.62 In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No.... -
Dipeptidyl peptidase 2 IC50 = 39000.0 nM 4.41 In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No.... -
Unchecked IC50 = 58000.0 nM 4.24 In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No.... -

Data from ChEMBL 36 via Core Engine