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Compound Detail

CHEMBL307144

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CCc1nn(C2CCCC2)c2c1CCN(c1ccccn1)C2=O

Basic Information

ChEMBL ID CHEMBL307144
Phase Preclinical
Structure Type MOL
InChI Key DNUMLIGXCPRAJT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

310.4
MW (Da)
3.16
ALogP
4
HBA
0
HBD
51.0
PSA (Ų)
0.87
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 C18H22N4O
MW 310.40
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.26

Activity Summary

IC50 1 meas. best 5.79

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphodiesterase 4
CHEMBL2093863
IC50 5.79 5.79 1640.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phosphodiesterase 4 IC50 = 1640.0 nM 5.79 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