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Compound Detail

CHEMBL250404

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COc1ccc2c(c1)OC/C(=C\c1ccc(O)cc1)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL250404
Phase Preclinical
Structure Type MOL
InChI Key LZEBZDHKLPFOHO-XYOKQWHBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

282.3
MW (Da)
3.06
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H14O4
MW 282.30
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.45

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-010-9418-y HUVEC 3
17967537 10.1016/j.bmcl.2007.10.034 Radical scavenging activity 1
17967537 10.1016/j.bmcl.2007.10.034 Brain 1
17967537 10.1016/j.bmcl.2007.10.034 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine