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Compound Detail

CHEMBL5437828

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COc1c(O)cc2oc3cc4c(c(OCc5ccccc5)c3c(=O)c2c1CC=C(C)C)C=CC(C)(C)O4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5437828
Phase Preclinical
Structure Type MOL
InChI Key WWBZGHSCYIVILZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

498.6
MW (Da)
6.93
ALogP
6
HBA
1
HBD
78.1
PSA (Ų)
0.23
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H30O6
MW 498.58
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness 2.01

Literature References

PubMed DOI Target Context # Activities
35985255 10.1016/j.ejmech.2022.114631 3',5'-cyclic-AMP phosphodiesterase 4D 1

Data from ChEMBL 36 via Core Engine