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Compound Detail

CHEMBL83484

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COc1ccc(C2=NN(c3ccccc3)C(=O)C(C)C2)cc1OC

Basic Information

ChEMBL ID CHEMBL83484
Phase Preclinical
Structure Type MOL
InChI Key COSOWSDUTHWTJU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

324.4
MW (Da)
3.48
ALogP
4
HBA
0
HBD
51.1
PSA (Ų)
0.86
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 C19H20N2O3
MW 324.38
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.54

Activity Summary

IC50 1 meas. best 6.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphodiesterase 4
CHEMBL2093863
IC50 6.9 6.9 125.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phosphodiesterase 4 IC50 = 125.89 nM 6.9 Inhibition of PDE4 in the cytosol of human neutrophils 11472205

Literature References

PubMed DOI Target Context # Activities
11472205 10.1021/jm010837k Phosphodiesterase 4 1
11472205 10.1021/jm010837k Phosphodiesterase 3 1

Data from ChEMBL 36 via Core Engine