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Compound Detail

CHEMBL406941

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CCc1nn(-c2ccc(F)cc2)c2c1CCN(c1cccc(OC)c1)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL406941
Phase Preclinical
Structure Type MOL
InChI Key ZGUMPRJSWQQMSQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

365.4
MW (Da)
3.79
ALogP
4
HBA
0
HBD
47.4
PSA (Ų)
0.71
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 C21H20FN3O2
MW 365.41
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.48

Activity Summary

IC50 1 meas. best 6.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphodiesterase 4
CHEMBL2093863
 IC50 6.31 6.31 490.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phosphodiesterase 4 IC50 = 490.0 nM 6.31 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