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Compound Detail

CHEMBL572289

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CCCOc1ccc(/C=C/C(=O)c2c(O)cc(OC)cc2OC)cc1

Basic Information

ChEMBL ID CHEMBL572289
Phase Preclinical
Structure Type MOL
InChI Key ORGIEVJOOKKXIL-JXMROGBWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
4.09
ALogP
5
HBA
1
HBD
65.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22O5
MW 342.39
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.31

Activity Summary

IC50 1 meas. best 4.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 4.92 4.92 12000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 12000.0 nM 4.92 Inhibition of cobalt chloride-induced HIF-1 activation expressed in mouse NIH3T3... 21112783

Literature References

PubMed DOI Target Context # Activities
19883086 10.1021/jm901278z Unchecked 1
21112783 10.1016/j.bmcl.2010.10.063 Unchecked 1
21112783 10.1016/j.bmcl.2010.10.063 ADMET 1

Data from ChEMBL 36 via Core Engine