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Compound Detail

CHEMBL1669735

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O=C(O)C(=Cc1cccc([N+](=O)[O-])c1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1669735
Phase Preclinical
Structure Type MOL
InChI Key JOIBGDDMIIHRSZ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

237.2
MW (Da)
1.15
ALogP
4
HBA
2
HBD
117.7
PSA (Ų)
0.27
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 C10H7NO6
MW 237.17
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.76

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
21237663 10.1016/j.bmc.2010.12.039 Lactoylglutathione lyase 1

Data from ChEMBL 36 via Core Engine