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Compound Detail

CHEMBL66447

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O=C1CN2Cc3cc(OCc4ccccc4)ccc3N=C2N1

Basic Information

ChEMBL ID CHEMBL66447
Phase Preclinical
Structure Type MOL
InChI Key UMOKKMDYKKZYDC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

293.3
MW (Da)
2.20
ALogP
4
HBA
1
HBD
53.9
PSA (Ų)
0.94
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 C17H15N3O2
MW 293.33
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.58

Activity Summary

IC50 1 meas. best 6.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphodiesterase 3
CHEMBL2094125
IC50 6.25 6.25 560.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phosphodiesterase 3 IC50 = 560.0 nM 6.25 Inhibition of platelet cAMP phosphodiesterase 2846839

Literature References

PubMed DOI Target Context # Activities
2846839 10.1021/jm00119a014 Phosphodiesterase 3 1

Data from ChEMBL 36 via Core Engine