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Compound Detail

CHEMBL2338683

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O=C(Nc1cc(Br)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2338683
Phase Preclinical
Structure Type MOL
InChI Key ZIDHEHRSNRVSMN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

394.6
MW (Da)
5.08
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.75
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H8BrClF3NO2
MW 394.57
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.59

Activity Summary

IC50 1 meas. best 4.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transmembrane protease serine 4
CHEMBL2331048
 IC50 4.92 4.92 12000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Transmembrane protease serine 4 IC50 = 12000.0 nM 4.92 Inhibition of N-terminal His6-tagged recombinant TMPRSS4 (unknown origin) fused ... 23414802

Literature References

PubMed DOI Target Context # Activities
23414802 10.1016/j.bmcl.2013.01.055 Transmembrane protease serine 4 2
23414802 10.1016/j.bmcl.2013.01.055 SW480 1

Data from ChEMBL 36 via Core Engine