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Compound Detail

CHEMBL3335736

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CC(C)(C)c1ccc(/C=C/C(=O)c2ccccc2O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3335736
Phase Preclinical
Structure Type MOL
InChI Key CDDMAPUBJQEDBZ-JLHYYAGUSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

280.4
MW (Da)
4.59
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.66
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 C19H20O2
MW 280.37
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.09

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
25278230 10.1016/j.bmcl.2014.09.028 No relevant target 1

Data from ChEMBL 36 via Core Engine