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Compound Detail

CHEMBL2316359

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COc1cccc2occ(/C=C/C(=O)c3ccc(O)cc3)c(=O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2316359
Phase Preclinical
Structure Type MOL
InChI Key IEYPLMKMSZZRSV-JXMROGBWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

322.3
MW (Da)
3.40
ALogP
5
HBA
1
HBD
76.7
PSA (Ų)
0.59
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 C19H14O5
MW 322.32
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness 0.43

Literature References

PubMed DOI Target Context # Activities
23202848 10.1016/j.ejmech.2012.11.007 Interleukin-5 2

Data from ChEMBL 36 via Core Engine