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Compound Detail

CHEMBL124575

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[N-]=[N+]=Nc1cc(-c2cccc(I)c2)c2ncccc2c1

Basic Information

ChEMBL ID CHEMBL124575
Phase Preclinical
Structure Type MOL
InChI Key FZNQYXTXKRWFRF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

372.2
MW (Da)
5.45
ALogP
2
HBA
0
HBD
61.6
PSA (Ų)
0.26
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H9IN4
MW 372.17
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.96

Activity Summary

IC50 1 meas. best 7.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3',5'-cyclic-AMP phosphodiesterase 4A
CHEMBL254
IC50 7.55 7.55 28.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
3',5'-cyclic-AMP phosphodiesterase 4A IC50 = 28.0 nM 7.55 Inhibition of recombinant human PDE4A expressed in Sf9 cells 11052785

Literature References

PubMed DOI Target Context # Activities
11052785 10.1021/jm000065c Phosphodiesterase 4 2
11052785 10.1021/jm000065c 3',5'-cyclic-AMP phosphodiesterase 4A 1

Data from ChEMBL 36 via Core Engine