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Compound Detail

CHEMBL5195101

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O=C1c2ccccc2C(=O)c2c1cc(-c1ccc(O)c(O)c1)c(O)c2O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5195101
Phase Preclinical
Structure Type MOL
InChI Key SDCRCBDVFRHLAL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

348.3
MW (Da)
2.95
ALogP
6
HBA
4
HBD
115.1
PSA (Ų)
0.39
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H12O6
MW 348.31
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 1.08

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