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Compound Detail

CHEMBL5563004

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COc1ccc(C2Oc3c(OC)cc(/C=C/C(=O)O)cc3C2C(=O)O)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5563004
Phase Preclinical
Structure Type MOL
InChI Key XLQMJNNTTVLVOM-QPJJXVBHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

400.4
MW (Da)
3.11
ALogP
6
HBA
2
HBD
111.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20O8
MW 400.38
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 1.02

Literature References

PubMed DOI Target Context # Activities
38489246 10.1021/acs.jmedchem.3c02424 3',5'-cyclic-AMP phosphodiesterase 4D 3

Data from ChEMBL 36 via Core Engine