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Compound Detail

CHEMBL3220253

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OCc1ccc(-c2nn(Cc3c(F)c(F)c(F)c(F)c3F)c3ccccc23)o1

Basic Information

ChEMBL ID CHEMBL3220253
Phase Preclinical
Structure Type MOL
InChI Key UIQFNWARONYSOI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

394.3
MW (Da)
4.53
ALogP
4
HBA
1
HBD
51.2
PSA (Ų)
0.31
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H11F5N2O2
MW 394.30
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.79

Activity Summary

IC50 1 meas. best 6.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.75 6.75 180.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 180.0 nM 6.75 Inhibition of HIF-1 (unknown origin) expressed in human HeLa cells after 12 hrs ... -

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C2MD20134H Unchecked 1

Data from ChEMBL 36 via Core Engine