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Compound Detail

CHEMBL1814452

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COc1cc(OC)c2c(c1)O/C(=C\c1ccc(C)cc1C)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1814452
Phase Preclinical
Structure Type MOL
InChI Key JRSKFXYVQFENFL-IUXPMGMMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

310.4
MW (Da)
3.94
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.81
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 C19H18O4
MW 310.35
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.13

Literature References

PubMed DOI Target Context # Activities
21699179 10.1021/jm200242p Unchecked 2
21699179 10.1021/jm200242p Huh-7 1
21699179 10.1021/jm200242p HEK293 1
30665143 10.1016/j.ejmech.2019.01.022 Staphylococcus aureus 1
30665143 10.1016/j.ejmech.2019.01.022 Pseudomonas aeruginosa 1

Data from ChEMBL 36 via Core Engine