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Compound Detail

CHEMBL5403947

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COc1cccc2oc(-c3ccccc3C)cc(=O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5403947
Phase Preclinical
Structure Type MOL
InChI Key YZPZIGWGFZHEQW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

266.3
MW (Da)
3.78
ALogP
3
HBA
0
HBD
39.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14O3
MW 266.30
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness 0.33

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