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Compound Detail

CHEMBL2262153

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COc1ccc(/C=C/C(=O)c2ccc(C)o2)c(OC)c1OC

Basic Information

ChEMBL ID CHEMBL2262153
Phase Preclinical
Structure Type MOL
InChI Key UQZTUNDZMJNAQG-SOFGYWHQSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

302.3
MW (Da)
3.51
ALogP
5
HBA
0
HBD
57.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18O5
MW 302.33
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.20

Activity Summary

IC50 2 meas. best 5.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAW264.7
CHEMBL612557
IC50 5.35 5.35 4466.8 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-011-9706-1 RAW264.7 2

Data from ChEMBL 36 via Core Engine