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Compound Detail

CHEMBL5181117

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NS(=O)(=O)c1cccc(-c2cc3c(c(O)c2O)C(=O)c2ccccc2C3=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5181117
Phase Preclinical
Structure Type MOL
InChI Key KEOHDXYRFUIMTD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

395.4
MW (Da)
2.19
ALogP
6
HBA
3
HBD
134.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H13NO6S
MW 395.39
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 0.12

Literature References

PubMed DOI Target Context # Activities
35290845 10.1016/j.ejmech.2022.114270 Pyruvate kinase PKLR 3

Data from ChEMBL 36 via Core Engine