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Compound Detail

CHEMBL74251

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CCc1nn(-c2ccc(F)cc2)c2c1CCN(c1ccccc1C)C2=O

Basic Information

ChEMBL ID CHEMBL74251
Phase Preclinical
Structure Type MOL
InChI Key QJRRNRZDGHBNBI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

349.4
MW (Da)
4.09
ALogP
3
HBA
0
HBD
38.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20FN3O
MW 349.41
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.47

Activity Summary

IC50 1 meas. best 6.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphodiesterase 4
CHEMBL2093863
IC50 6.05 6.05 890.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phosphodiesterase 4 IC50 = 890.0 nM 6.05 Inhibitory activity on human eosinophil phosphodiesterase 4. 9632360

Literature References

PubMed DOI Target Context # Activities
9632360 10.1021/jm9800090 Phosphodiesterase 4 1

Data from ChEMBL 36 via Core Engine