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Compound Detail

CHEMBL1795437

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CC(C)(O)C1Cc2cc3cc(-c4ccc(OCc5ccccc5)cc4)oc3cc2O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1795437
Phase Preclinical
Structure Type MOL
InChI Key BDFFMMOXMREZKQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

400.5
MW (Da)
5.75
ALogP
4
HBA
1
HBD
51.8
PSA (Ų)
0.46
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 C26H24O4
MW 400.47
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness 0.92

Activity Summary

IC50 1 meas. best 6.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hypoxia-inducible factor 1-alpha
CHEMBL4261
 IC50 6.31 6.31 490.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hypoxia-inducible factor 1-alpha IC50 = 490.0 nM 6.31 Inhibition of hypoxia-induced HIF1alpha activation in human Hep3B cells after 16... 21481991

Literature References

PubMed DOI Target Context # Activities
21481991 10.1016/j.ejmech.2011.03.022 ADMET 1
21481991 10.1016/j.ejmech.2011.03.022 Hypoxia-inducible factor 1-alpha 1

Data from ChEMBL 36 via Core Engine