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Compound Detail

CHEMBL5557916

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CCOc1cc(C2Oc3c(OCC)cc(/C=C/C(=O)O)cc3C2C(=O)O)ccc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5557916
Phase Preclinical
Structure Type MOL
InChI Key KVZMKYADJSDVBN-RMKNXTFCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

428.4
MW (Da)
3.89
ALogP
6
HBA
2
HBD
111.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24O8
MW 428.44
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness 0.78

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