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Compound Detail

CHEMBL445711

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O=C(c1cccc(O)c1)c1c(O)cc(O)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL445711
Phase Preclinical
Structure Type MOL
InChI Key QWRYPHZJTWQLFX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

246.2
MW (Da)
1.74
ALogP
5
HBA
4
HBD
98.0
PSA (Ų)
0.60
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 C13H10O5
MW 246.22
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.70

Activity Summary

IC50 1 meas. best 4.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Radical scavenging activity
CHEMBL613712
 IC50 4.18 4.18 66300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Radical scavenging activity IC50 = 66300.0 nM 4.18 Antioxidant activity assessed as DPPH radical scavenging activity 12932126

Literature References

PubMed DOI Target Context # Activities
12932126 10.1021/np030065q Radical scavenging activity 1
12932126 10.1021/np030065q Artemia 1

Data from ChEMBL 36 via Core Engine