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Compound Detail

CHEMBL312290

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O=C(O)Cc1cc(O)c2c(c1)CCc1ccccc1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL312290
Phase Preclinical
Structure Type MOL
InChI Key JVEFSZWISSUUPY-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

282.3
MW (Da)
2.35
ALogP
3
HBA
2
HBD
74.6
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14O4
MW 282.30
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.64

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
3097317 10.1021/jm00161a033 Aldo-keto reductase family 1 member B1 4
3097317 10.1021/jm00161a033 Rattus norvegicus 1
3097317 10.1021/jm00161a033 Mus musculus 1

Data from ChEMBL 36 via Core Engine