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Compound Detail

CHEMBL5176055

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Nc1c(S(=O)(=O)[O-])cc2c(c1O)C(=O)c1ccccc1C2=O.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5176055
Phase Preclinical
Structure Type MOL
InChI Key XWNKCMXYCFQKDO-UHFFFAOYSA-M
Parent Compound CHEMBL5221494
Active Moiety CHEMBL5221494
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

319.3
MW (Da)
1.00
ALogP
6
HBA
3
HBD
134.8
PSA (Ų)
0.35
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H8NNaO6S
MW 341.28
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.42

Literature References

PubMed DOI Target Context # Activities
35290845 10.1016/j.ejmech.2022.114270 Pyruvate kinase PKLR 2

Data from ChEMBL 36 via Core Engine