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Compound Detail

CHEMBL3793366

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COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@@H](CO)[C@@H]2CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3793366
Phase Preclinical
Structure Type MOL
InChI Key TXSJJCSJHIDTDE-JTVAWUQMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

492.5
MW (Da)
0.48
ALogP
10
HBA
6
HBD
158.3
PSA (Ų)
0.32
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C25H32O10
MW 492.52
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness 2.04

Literature References

PubMed DOI Target Context # Activities
26978121 10.1016/j.ejmech.2015.12.002 3',5'-cyclic-AMP phosphodiesterase 4D 1

Data from ChEMBL 36 via Core Engine