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Compound Detail

CHEMBL315815

PYRIDOPYRIDAZINONE
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O=c1c2cccnc2c(-c2cccc([N+](=O)[O-])c2)nn1Cc1ccncc1

Basic Information

ChEMBL ID CHEMBL315815
Name PYRIDOPYRIDAZINONE
Phase Preclinical
Structure Type MOL
InChI Key DYHGFTMEUMYPOC-UHFFFAOYSA-N
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

359.4
MW (Da)
2.81
ALogP
7
HBA
0
HBD
103.8
PSA (Ų)
0.41
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 C19H13N5O3
MW 359.35
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.72

Activity Summary

IC50 3 meas. best 8.3
EC50 1 meas. best 6.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphodiesterase 4
CHEMBL2093863
IC50 8.3 8.3 5.0 2
3',5'-cyclic-AMP phosphodiesterase 4A
CHEMBL254
EC50 6.66 6.66 220.0 1
3',5'-cyclic-AMP phosphodiesterase 4A
CHEMBL254
IC50 6.47 6.47 340.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21456625 10.1021/jm200070e 3',5'-cyclic-AMP phosphodiesterase 4A 2
11472205 10.1021/jm010837k Phosphodiesterase 4 1
18686943 10.1021/jm800582j Phosphodiesterase 4 1

Data from ChEMBL 36 via Core Engine