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Compound Detail

CHEMBL594370

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COc1cc(OC)c2c(c1)O/C(=C\c1ccc(C)cc1)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL594370
Phase Preclinical
Structure Type MOL
InChI Key OVXLRKBASCJOFX-PXNMLYILSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

296.3
MW (Da)
3.63
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 C18H16O4
MW 296.32
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.12

Literature References

PubMed DOI Target Context # Activities
19853459 10.1016/j.bmc.2009.10.002 Radical scavenging activity 4
19853459 10.1016/j.bmc.2009.10.002 NON-PROTEIN TARGET 3
20392544 10.1016/j.ejmech.2010.03.023 NAD(P)H dehydrogenase [quinone] 1 2
20392544 10.1016/j.ejmech.2010.03.023 ADMET 2
19853459 10.1016/j.bmc.2009.10.002 Unchecked 1
19853459 10.1016/j.bmc.2009.10.002 No relevant target 1

Data from ChEMBL 36 via Core Engine