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Compound Detail

CHEMBL245114

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COc1ccc(/C=C/c2ccc(OC)c(O)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL245114
Phase Preclinical
Structure Type MOL
InChI Key REFSKZBXDZGOCW-ONEGZZNKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

256.3
MW (Da)
3.58
ALogP
3
HBA
1
HBD
38.7
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16O3
MW 256.30
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.44

Literature References

PubMed DOI Target Context # Activities
17316918 10.1016/j.ejmech.2006.12.012 NON-PROTEIN TARGET 2
17316918 10.1016/j.ejmech.2006.12.012 Unchecked 2
21215623 10.1016/j.bmcl.2010.12.029 NON-PROTEIN TARGET 1
21215623 10.1016/j.bmcl.2010.12.029 NAD(P)H dehydrogenase [quinone] 1 1

Data from ChEMBL 36 via Core Engine