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Compound Detail

CHEMBL464891

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COc1cc(/C=C/C=O)cc(OC)c1OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL464891
Phase Preclinical
Structure Type MOL
InChI Key JZEMVIIHYVFXDH-RMKNXTFCSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

298.3
MW (Da)
3.49
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H18O4
MW 298.34
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.30

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
12088436 10.1021/np0200257 KB 1

Data from ChEMBL 36 via Core Engine