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Compound Detail

CHEMBL4456068

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Cl.N=C(N)c1ccc(NCC2Cc3ccccc3B(O)O2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4456068
Phase Preclinical
Structure Type MOL
InChI Key IEUHBWQCKSZKCU-UHFFFAOYSA-N
Parent Compound CHEMBL4597229
Active Moiety CHEMBL4597229
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

295.1
MW (Da)

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19BClN3O2
MW 331.61

Activity Summary

IC50 1 meas. best 5.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Kallikrein-5
CHEMBL4447
 IC50 5.8 5.8 1584.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Kallikrein-5 IC50 = 1584.89 nM 5.8 Inhibition of human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus... 31521475

Literature References

PubMed DOI Target Context # Activities
31521475 10.1016/j.bmcl.2019.126675 Kallikrein-1 2
31521475 10.1016/j.bmcl.2019.126675 Kallikrein-5 1

Data from ChEMBL 36 via Core Engine