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Compound Detail

CHEMBL1928023

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CC(C)(C)C(=O)OCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1

Basic Information

ChEMBL ID CHEMBL1928023
Phase Preclinical
Structure Type MOL
InChI Key PCEDMSXAUCMJBA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

388.5
MW (Da)
5.43
ALogP
5
HBA
0
HBD
57.3
PSA (Ų)
0.43
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24N2O3
MW 388.47
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.91

Activity Summary

IC50 1 meas. best 6.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.05 6.05 890.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 890.0 nM 6.05 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
25996239 10.1021/jm502014h NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine