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Compound Detail

CHEMBL3686737

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N[C@H](C(=O)N1CCC[C@H]1B(O)O)C1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3686737
Phase Preclinical
Structure Type MOL
InChI Key ASFLZYSLTQLPGZ-QWRGUYRKSA-N
7
Targets
18
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

254.1
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H23BN2O3
MW 254.14

Activity Summary

IC50 18 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dipeptidyl peptidase 4
CHEMBL284
 IC50 9.0 6.958 1.0 5
Unchecked
CHEMBL612545
 IC50 7.52 6.02 30.0 2
Dipeptidyl peptidase 9
CHEMBL4793
 IC50 5.96 5.96 1100.0 1
Dipeptidyl peptidase 2
CHEMBL3976
 IC50 5.68 5.68 2100.0 1
Dipeptidyl peptidase 8
CHEMBL4657
 IC50 5.57 5.57 2700.0 1
Prolyl endopeptidase FAP
CHEMBL4683
 IC50 5.0 5.0 10000.0 1
Dipeptidyl peptidase 8/9
CHEMBL3885564
 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 = 1.0 nM 9.0 Inhibition Assay: The inhibitor solution is prepared by dissolving 3-5 mg of inh... -
Dipeptidyl peptidase 4 IC50 = 4.0 nM 8.4 Inhibition Assay: The inhibitor solution is prepared by dissolving 3-5 mg of inh... -
Unchecked IC50 = 30.0 nM 7.52 EnPlex (purified enzyme activity assay): This assay is described in Bachovchin e... -
Dipeptidyl peptidase 4 IC50 = 380.0 nM 6.42 Inhibition Assay: The inhibitor solution is prepared by dissolving 3-5 mg of inh... -
Dipeptidyl peptidase 9 IC50 = 1100.0 nM 5.96 In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No.... -
Dipeptidyl peptidase 4 IC50 = 1200.0 nM 5.92 In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No.... -
Dipeptidyl peptidase 2 IC50 = 2100.0 nM 5.68 In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No.... -
Dipeptidyl peptidase 8 IC50 = 2700.0 nM 5.57 In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No.... -
Dipeptidyl peptidase 4 IC50 = 9000.0 nM 5.05 Inhibition Assay: The inhibitor solution is prepared by dissolving 3-5 mg of inh... -
Prolyl endopeptidase FAP IC50 = 10000.0 nM 5.0 In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No.... -
Dipeptidyl peptidase 8/9 IC50 = 19000.0 nM 4.72 In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No.... -
Unchecked IC50 = 30000.0 nM 4.52 In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No.... -

Data from ChEMBL 36 via Core Engine