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Compound Detail

CHEMBL224407

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O=C(O)c1ccccc1/C=C/C(=O)c1c(O)cccc1OCC1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL224407
Phase Preclinical
Structure Type MOL
InChI Key OOOQWJSVUXGEGK-BUHFOSPRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

380.4
MW (Da)
4.95
ALogP
4
HBA
2
HBD
83.8
PSA (Ų)
0.52
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 C23H24O5
MW 380.44
Aromatic Rings 2
Heavy Atoms 28

Literature References

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

Data from ChEMBL 36 via Core Engine