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Compound Detail

CHEMBL3410739

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CCc1cc(C(=O)COc2ccc(C(C)C)cc2)c(O)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3410739
Phase Preclinical
Structure Type MOL
InChI Key VREQUOSGBWTVFL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
4.05
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22O4
MW 314.38
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.24

Literature References

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

Data from ChEMBL 36 via Core Engine