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Compound Detail

CHEMBL5630767

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O=Cc1cc(=O)[nH]c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5630767
Phase Preclinical
Structure Type MOL
InChI Key VUQNLIDVEFIQLP-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

140.1
MW (Da)
-1.12
ALogP
3
HBA
2
HBD
82.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C5H4N2O3
MW 140.10
Aromatic Rings 1
Heavy Atoms 10
NP-Likeness 0.29

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
37399710 10.1016/j.ejmech.2023.115604 Unchecked 2

Data from ChEMBL 36 via Core Engine