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Compound Detail

CHEMBL5418637

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O=C(O)CCc1cc(=O)c2c(O)cc(O)cc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5418637
Phase Preclinical
Structure Type MOL
InChI Key BEALIPDASYMARJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

250.2
MW (Da)
1.22
ALogP
5
HBA
3
HBD
108.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H10O6
MW 250.21
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 1.45

Literature References

PubMed DOI Target Context # Activities
36621139 10.1016/j.ejmech.2022.115044 DNA polymerase eta 1

Data from ChEMBL 36 via Core Engine