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Compound Detail

CHEMBL267296

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COc1c2c(cc(O)c1-c1ccc(-c3ccccc3)cc1)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL267296
Phase Preclinical
Structure Type MOL
InChI Key JTAQOEVESBFYJA-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

320.3
MW (Da)
4.46
ALogP
4
HBA
1
HBD
47.9
PSA (Ų)
0.77
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 C20H16O4
MW 320.34
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness 0.82

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
10230633 10.1016/s0960-894x(99)00126-2 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine