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Compound Detail

CHEMBL3335715

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O=c1c(O)c(-c2ccco2)oc2ccccc12

Basic Information

ChEMBL ID CHEMBL3335715
Phase Preclinical
Structure Type MOL
InChI Key HBOLZGZNJWPFQR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

228.2
MW (Da)
2.76
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H8O4
MW 228.20
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness 0.05

Activity Summary

IC50 1 meas. best 4.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
No relevant target
CHEMBL2362975
IC50 4.47 4.47 34000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
No relevant target IC50 = 34000.0 nM 4.47 Antioxidant activity assessed as DPPH radical scavenging activity incubated at r... 25278230

Literature References

PubMed DOI Target Context # Activities
25278230 10.1016/j.bmcl.2014.09.028 No relevant target 1

Data from ChEMBL 36 via Core Engine