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Compound Detail

CHEMBL334154

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OCc1ccc(-c2[nH]nc3ccccc23)o1

Basic Information

ChEMBL ID CHEMBL334154
Phase Preclinical
Structure Type MOL
InChI Key PFWRCTKBJYHEQE-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

214.2
MW (Da)
2.32
ALogP
3
HBA
2
HBD
62.0
PSA (Ų)
0.69
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 C12H10N2O2
MW 214.22
Aromatic Rings 3
Heavy Atoms 16
NP-Likeness -0.41

Activity Summary

IC50 2 meas. best 5.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.3 5.3 5000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 5000.0 nM 5.3 Inhibition of hypoxia-induced HIF-1 transcriptional activity by luciferase repor... 21937231

Literature References

PubMed DOI Target Context # Activities
11606139 10.1021/jm010001h Unchecked 4
21937231 10.1016/j.bmcl.2011.08.120 Unchecked 1

Data from ChEMBL 36 via Core Engine