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Compound Detail

CHEMBL2336752

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O=C(O)/C=C\c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2336752
Phase Preclinical
Structure Type MOL
InChI Key NGSWKAQJJWESNS-UTCJRWHESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

164.2
MW (Da)
1.49
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.65
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 C9H8O3
MW 164.16
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness 0.84

Literature References

PubMed DOI Target Context # Activities
23356964 10.1021/np300609u Radical scavenging activity 1
32991171 10.1021/acs.jnatprod.0c00756 HT-22 1

Data from ChEMBL 36 via Core Engine