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Compound Detail

CHEMBL425122

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O=C(O)c1ccc(/C=C/C(=O)c2ccccc2OCc2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL425122
Phase Preclinical
Structure Type MOL
InChI Key ADMBFEMBJMDZNV-NTCAYCPXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
4.86
ALogP
3
HBA
1
HBD
63.6
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H18O4
MW 358.39
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.20

Literature References

PubMed DOI Target Context # Activities
17064909 10.1016/j.bmc.2006.10.007 Unchecked 2

Data from ChEMBL 36 via Core Engine