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Compound Detail

CHEMBL1795449

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CC(C)(O)C1Cc2ccc(OC(=O)c3ccc(Br)cc3)cc2O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1795449
Phase Preclinical
Structure Type MOL
InChI Key WFFULJPEIICVGU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

377.2
MW (Da)
3.74
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17BrO4
MW 377.23
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.78

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