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Compound Detail

CHEMBL334448

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COc1ccc(C2C(=O)c3ccccc3C2=O)cc1OC1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL334448
Phase Preclinical
Structure Type MOL
InChI Key PPPSMBKLZYSSOC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
4.18
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.79
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 C21H20O4
MW 336.39
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.21

Literature References

PubMed DOI Target Context # Activities
9784096 10.1021/jm970575f Phosphodiesterase 4 2

Data from ChEMBL 36 via Core Engine