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Compound Detail

CHEMBL3233847

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O=C(NCC(=O)N1CCC[C@H]1B(O)O)c1ccnc2ccccc12

Basic Information

ChEMBL ID CHEMBL3233847
Phase Preclinical
Structure Type MOL
InChI Key KDSKSYZDLVUANF-AWEZNQCLSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

327.1
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18BN3O4
MW 327.15

Activity Summary

IC50 3 meas. best 8.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prolyl endopeptidase FAP
CHEMBL5769
IC50 8.43 8.43 3.7 1
Prolyl endopeptidase
CHEMBL3202
IC50 7.95 7.95 11.2 1
Unchecked
CHEMBL612545
IC50 4.8 4.8 15800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24617858 10.1021/jm500031w Unchecked 2
24617858 10.1021/jm500031w Prolyl endopeptidase FAP 1
24617858 10.1021/jm500031w Prolyl endopeptidase 1
24617858 10.1021/jm500031w Dipeptidyl peptidase 4 1
24617858 10.1021/jm500031w Dipeptidyl peptidase 2 1

Data from ChEMBL 36 via Core Engine