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Compound Detail

CHEMBL2234025

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COc1cc(/C=C2\CC/C(=C\c3ccc(OC(C)=O)c(OC)c3)C2=O)ccc1OC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2234025
Phase Preclinical
Structure Type MOL
InChI Key QTHALVPQKODNCP-AYKLPDECSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

436.5
MW (Da)
4.38
ALogP
7
HBA
0
HBD
88.1
PSA (Ų)
0.38
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H24O7
MW 436.46
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness 0.05

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-010-9521-0 NON-PROTEIN TARGET 1
- 10.1007/s00044-010-9521-0 RAW264.7 1

Data from ChEMBL 36 via Core Engine