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Compound Detail

CHEMBL3586555

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O=C(Cc1cccs1)N[C@@H](Cn1cc(-c2ccccc2)nn1)B(O)O

Basic Information

ChEMBL ID CHEMBL3586555
Phase Preclinical
Structure Type MOL
InChI Key RMCDOIPZMLAQDA-HNNXBMFYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

356.2
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17BN4O3S
MW 356.22

Activity Summary

IC50 2 meas. best 6.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.52 6.51 300.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
26102369 10.1021/acs.jmedchem.5b00341 Unchecked 4

Data from ChEMBL 36 via Core Engine