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Compound Detail

CHEMBL3410741

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COc1ccccc1C(=O)COC(=O)c1cc(C)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3410741
Phase Preclinical
Structure Type MOL
InChI Key CMJDMDCTNDFTNA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

300.3
MW (Da)
2.75
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16O5
MW 300.31
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.59

Literature References

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

Data from ChEMBL 36 via Core Engine