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Compound Detail

CHEMBL1928020

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CC(=O)OCc1ccc(-c2nn(C)c3ccccc23)o1

Basic Information

ChEMBL ID CHEMBL1928020
Phase Preclinical
Structure Type MOL
InChI Key GTAAMMZEUOBZJH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

270.3
MW (Da)
2.90
ALogP
5
HBA
0
HBD
57.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14N2O3
MW 270.29
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.68

Activity Summary

IC50 1 meas. best 4.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 4.77 4.77 16900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 16900.0 nM 4.77 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