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Compound Detail

CHEMBL4873413

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Cc1coc2c1C(=O)C(=O)c1cc(O)ccc1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4873413
Phase Preclinical
Structure Type MOL
InChI Key PFEFEASONOHRQR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

228.2
MW (Da)
2.34
ALogP
4
HBA
1
HBD
67.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H8O4
MW 228.20
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness 1.71

Literature References

PubMed DOI Target Context # Activities
34333396 10.1016/j.ejmech.2021.113708 HepG2 1
34333396 10.1016/j.ejmech.2021.113708 HeLa 1
34333396 10.1016/j.ejmech.2021.113708 MCF7 1
34333396 10.1016/j.ejmech.2021.113708 MGC-803 1
34333396 10.1016/j.ejmech.2021.113708 U-937 1
34333396 10.1016/j.ejmech.2021.113708 A549 1

Data from ChEMBL 36 via Core Engine