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Compound Detail

CHEMBL1088484

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OC[C@H]1O[C@@H](CCOCc2ccccc2)[C@H](OCc2ccccc2)C[C@@H]1O

Basic Information

ChEMBL ID CHEMBL1088484
Phase Preclinical
Structure Type MOL
InChI Key MONANRYKMPEKTM-FNAHDJPLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

372.5
MW (Da)
2.69
ALogP
5
HBA
2
HBD
68.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28O5
MW 372.46
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.81

Activity Summary

Kd 1 meas. best 4.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3',5'-cyclic-AMP phosphodiesterase 4D
CHEMBL288
Kd 4.1 4.1 80000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19361990 10.1016/j.bmcl.2009.03.103 Unchecked 1
19361990 10.1016/j.bmcl.2009.03.103 3',5'-cyclic-AMP phosphodiesterase 4D 1

Data from ChEMBL 36 via Core Engine