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Compound Detail

CHEMBL145880

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CC(=O)CC(c1ccccc1)c1c(O)oc2cc(O)ccc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL145880
Phase Preclinical
Structure Type MOL
InChI Key BQSUFDMOXLLKQK-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

324.3
MW (Da)
3.32
ALogP
5
HBA
2
HBD
87.7
PSA (Ų)
0.77
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 C19H16O5
MW 324.33
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness 0.53

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
4020838 10.1021/jm00146a004 Rattus norvegicus 6
17275317 10.1016/j.bmc.2007.01.014 Unchecked 1

Data from ChEMBL 36 via Core Engine