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Compound Detail

CHEMBL359924

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CCOc1ccccc1-c1nc(O)c2onc(C3CCCC3)c2n1

Basic Information

ChEMBL ID CHEMBL359924
Phase Preclinical
Structure Type MOL
InChI Key GOESVWYTXYEMCF-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
4.05
ALogP
6
HBA
1
HBD
81.3
PSA (Ų)
0.78
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 C18H19N3O3
MW 325.37
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.97

Activity Summary

IC50 2 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-specific 3',5'-cyclic phosphodiesterase
CHEMBL1827
IC50 7.7 7.7 20.0 1
Phosphodiesterase 1
CHEMBL2095150
IC50 6.7 6.7 200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15993055 10.1016/j.bmcl.2005.05.090 Phosphodiesterase 1 1
15993055 10.1016/j.bmcl.2005.05.090 cGMP-specific 3',5'-cyclic phosphodiesterase 1

Data from ChEMBL 36 via Core Engine