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Compound Detail

CHEMBL1928018

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Cn1nc(-c2ccc(CO)o2)c2ccccc21

Basic Information

ChEMBL ID CHEMBL1928018
Phase Preclinical
Structure Type MOL
InChI Key UVTPHSFGHDOZNL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

228.2
MW (Da)
2.33
ALogP
4
HBA
1
HBD
51.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H12N2O2
MW 228.25
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -0.77

Activity Summary

IC50 1 meas. best 5.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.05 5.05 8900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 8900.0 nM 5.05 Inhibition of hypoxia-induced HIF-1 transcriptional activity by luciferase repor... 21937231

Literature References

PubMed DOI Target Context # Activities
21937231 10.1016/j.bmcl.2011.08.120 Unchecked 1

Data from ChEMBL 36 via Core Engine