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Compound Detail

CHEMBL4128730

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CC1(C)Oc2ccc3ccc(=O)oc3c2CC1OC(=O)/C=C/c1ccc(O)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4128730
Phase Preclinical
Structure Type MOL
InChI Key QUZIKFDBDVRAMQ-RUDMXATFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

408.4
MW (Da)
3.54
ALogP
7
HBA
2
HBD
106.2
PSA (Ų)
0.30
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20O7
MW 408.41
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness 2.05

Activity Summary

EC50 1 meas. best 5.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
No relevant target
CHEMBL2362975
 EC50 5.51 5.51 3060.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
No relevant target EC50 = 3060.0 nM 5.51 Antioxidant activity assessed as DPPH radical scavenging activity measured after... 29914769

Literature References

PubMed DOI Target Context # Activities
29914769 10.1016/j.bmcl.2018.06.018 HepG2 4
29914769 10.1016/j.bmcl.2018.06.018 No relevant target 1

Data from ChEMBL 36 via Core Engine