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Compound Detail

CHEMBL4208547

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CC1(C)OB(C(N)Cc2ccccc2)OC1(C)C

Basic Information

ChEMBL ID CHEMBL4208547
Phase Preclinical
Structure Type MOL
InChI Key ZWWOFGQJWRTEGH-UHFFFAOYSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

247.2
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H22BNO2
MW 247.15

Activity Summary

IC50 1 meas. best 7.7
Ki 1 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aminopeptidase N
CHEMBL1907
IC50 7.7 7.7 20.0 1
Cytosol aminopeptidase
CHEMBL3965
Ki 7.3 7.3 50.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Aminopeptidase N IC50 = 20.0 nM 7.7 Inhibition of APN (unknown origin) 29630364
Cytosol aminopeptidase Ki = 50.0 nM 7.3 Inhibition of LAP (unknown origin) 29630364

Literature References

PubMed DOI Target Context # Activities
29630364 10.1021/acs.jmedchem.7b00782 Cytosol aminopeptidase 1
29630364 10.1021/acs.jmedchem.7b00782 Aminopeptidase N 1

Data from ChEMBL 36 via Core Engine