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Compound Detail

CHEMBL356805

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Oc1ccc(-c2nccc3nc(O)ccc23)cc1

Basic Information

ChEMBL ID CHEMBL356805
Phase Preclinical
Structure Type MOL
InChI Key YUDVUOLTNNJZBT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

238.2
MW (Da)
2.71
ALogP
4
HBA
2
HBD
66.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H10N2O2
MW 238.25
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -0.39

Activity Summary

IC50 1 meas. best 6.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphodiesterase 3
CHEMBL2094125
IC50 6.22 6.22 600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phosphodiesterase 3 IC50 = 600.0 nM 6.22 Inhibition of cAMP Phosphodiesterase 3 1336055

Literature References

PubMed DOI Target Context # Activities
1336055 10.1021/jm00104a012 Phosphodiesterase 3 2

Data from ChEMBL 36 via Core Engine