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Compound Detail

CHEMBL5204502

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O=C1c2ccccc2C(=O)c2c1cc(-c1ccc(O)cc1)c(O)c2O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5204502
Phase Preclinical
Structure Type MOL
InChI Key GXMIAKBGTZNKSS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

332.3
MW (Da)
3.25
ALogP
5
HBA
3
HBD
94.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H12O5
MW 332.31
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness 0.92

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