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Compound Detail

CHEMBL1807486

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O=C1/C(=C/c2cc(O)c(O)c(O)c2)Oc2cc(O)ccc21

Basic Information

ChEMBL ID CHEMBL1807486
Phase Preclinical
Structure Type MOL
InChI Key SBVOOJGJEOGEBY-ACAGNQJTSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

286.2
MW (Da)
2.13
ALogP
6
HBA
4
HBD
107.2
PSA (Ų)
0.47
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 C15H10O6
MW 286.24
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.70

Activity Summary

IC50 2 meas. best 4.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAW264.7
CHEMBL612557
IC50 4.42 4.21 37620.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21723122 10.1016/j.bmcl.2011.05.117 RAW264.7 3

Data from ChEMBL 36 via Core Engine