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Compound Detail

CHEMBL2402534

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CNc1nc(Cl)nc(NC2(C#N)CCCCCC2)n1

Basic Information

ChEMBL ID CHEMBL2402534
Phase Preclinical
Structure Type MOL
InChI Key ARPKBROSLCOBKL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

280.8
MW (Da)
2.60
ALogP
6
HBA
2
HBD
86.5
PSA (Ų)
0.83
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 C12H17ClN6
MW 280.76
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.81

Activity Summary

IC50 1 meas. best 7.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3',5'-cyclic-AMP phosphodiesterase 4A
CHEMBL254
IC50 7.36 7.36 44.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23806553 10.1016/j.bmcl.2013.05.099 3',5'-cyclic-AMP phosphodiesterase 4A 1

Data from ChEMBL 36 via Core Engine