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Compound Detail

CHEMBL4206967

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COc1c(C(=O)Cc2ccc(O)cc2)ccc2c1C=CC(C)(C)O2

Basic Information

ChEMBL ID CHEMBL4206967
Phase Preclinical
Structure Type MOL
InChI Key ABENNLQZRNENHU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

324.4
MW (Da)
4.01
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20O4
MW 324.38
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 1.58

Activity Summary

IC50 1 meas. best 6.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hypoxia-inducible factor 1-alpha
CHEMBL4261
IC50 6.1 6.1 790.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
30252468 10.1021/acs.jmedchem.8b00971 Hypoxia-inducible factor 1-alpha 1

Data from ChEMBL 36 via Core Engine