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Compound Detail

CHEMBL3184279

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O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)[O-])ccc21.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3184279
Phase Preclinical
Structure Type MOL
InChI Key GGCZERPQGJTIQP-UHFFFAOYSA-M
Parent Compound CHEMBL3305895
Active Moiety CHEMBL3305895
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

288.3
MW (Da)
1.71
ALogP
4
HBA
1
HBD
88.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H7NaO5S
MW 310.26
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.16

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