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Compound Detail

CHEMBL4468793

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CCOC(=O)CCCCCCOc1cc2oc3cc4c(c(O)c3c(=O)c2c(CC=C(C)C)c1OC)C=CC(C)(C)O4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4468793
Phase Preclinical
Structure Type MOL
InChI Key GGEKMXWCBAWKNU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

564.7
MW (Da)
7.25
ALogP
8
HBA
1
HBD
104.4
PSA (Ų)
0.11
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H40O8
MW 564.68
Aromatic Rings 3
Heavy Atoms 41
NP-Likeness 1.92

Literature References

PubMed DOI Target Context # Activities
32115956 10.1021/acs.jmedchem.0c00060 3',5'-cyclic-AMP phosphodiesterase 4D 1

Data from ChEMBL 36 via Core Engine