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Compound Detail

CHEMBL92316

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O=c1[nH]c2ccc(O)cc2oc1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL92316
Phase Preclinical
Structure Type MOL
InChI Key LXWXFKYFMODNMK-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

179.1
MW (Da)
0.19
ALogP
4
HBA
2
HBD
83.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H5NO4
MW 179.13
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness 0.56

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
2578192 10.1021/jm00379a006 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine