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Compound Detail

CHEMBL3955298

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COc1ccc(O)c(C(C)=O)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3955298
Phase Preclinical
Structure Type MOL
InChI Key PYBAAGWYIHNIBZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

196.2
MW (Da)
1.61
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H12O4
MW 196.20
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 0.76

Literature References

PubMed DOI Target Context # Activities
27919656 10.1016/j.bmcl.2016.11.069 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine