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Compound Detail

CHEMBL69286

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O=C1CN2Cc3cc(O)ccc3N=C2N1

Basic Information

ChEMBL ID CHEMBL69286
Phase Preclinical
Structure Type MOL
InChI Key FNAHBRBEEQQVHH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

203.2
MW (Da)
0.33
ALogP
4
HBA
2
HBD
64.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H9N3O2
MW 203.20
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.12

Activity Summary

IC50 1 meas. best 5.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphodiesterase 3
CHEMBL2094125
IC50 5.48 5.48 3300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phosphodiesterase 3 IC50 = 3300.0 nM 5.48 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