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Compound Detail

CHEMBL242326

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COc1cc(/C=C/C(=O)c2c(O)c3ccccc3oc2=O)ccc1O

Basic Information

ChEMBL ID CHEMBL242326
Phase Preclinical
Structure Type MOL
InChI Key LQZHHEFLZZQRNA-VQHVLOKHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

338.3
MW (Da)
3.11
ALogP
6
HBA
2
HBD
97.0
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14O6
MW 338.32
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness 0.59

Activity Summary

IC50 1 meas. best 4.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
No relevant target
CHEMBL2362975
IC50 4.28 4.28 52500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
No relevant target IC50 = 52500.0 nM 4.28 DPPH radical scavenging activity 17448664

Literature References

PubMed DOI Target Context # Activities
36543032 10.1016/j.ejmech.2022.115008 Unchecked 4
- 10.1007/s00044-011-9694-1 Unchecked 3
- 10.1007/s00044-011-9694-1 Plasmodium falciparum 3
17448664 10.1016/j.bmc.2007.03.077 NON-PROTEIN TARGET 2
17448664 10.1016/j.bmc.2007.03.077 No relevant target 1
17448664 10.1016/j.bmc.2007.03.077 Unchecked 1
- 10.1007/s00044-011-9694-1 K562 1

Data from ChEMBL 36 via Core Engine