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Compound Detail

CHEMBL2385569

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O=C(O)Cc1ccc(Nc2nc(-c3ccccc3)nc3c2COC3)cc1

Basic Information

ChEMBL ID CHEMBL2385569
Phase Preclinical
Structure Type MOL
InChI Key GPNXISRKJBWIQC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
3.54
ALogP
5
HBA
2
HBD
84.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17N3O3
MW 347.37
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.88

Activity Summary

IC50 1 meas. best 5.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3',5'-cyclic-AMP phosphodiesterase 4B
CHEMBL275
IC50 5.66 5.66 2200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23602400 10.1016/j.bmcl.2013.03.104 3',5'-cyclic-AMP phosphodiesterase 4B 1

Data from ChEMBL 36 via Core Engine