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Compound Detail

CHEMBL3410743

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COc1ccc(C(=O)COC(=O)c2cc(OC)ccc2O)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3410743
Phase Preclinical
Structure Type MOL
InChI Key YQCZSNWKMXTVPF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

346.3
MW (Da)
2.46
ALogP
7
HBA
1
HBD
91.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18O7
MW 346.34
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.29

Literature References

PubMed DOI Target Context # Activities
25581017 10.1021/jm5018187 Krueppel-like factor 10 2

Data from ChEMBL 36 via Core Engine