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Compound Detail

CHEMBL432659

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CCCOc1ccccc1-c1cn2cccnc2n1

Basic Information

ChEMBL ID CHEMBL432659
Phase Preclinical
Structure Type MOL
InChI Key UQFNXSFJUCGMDX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

253.3
MW (Da)
3.19
ALogP
4
HBA
0
HBD
39.4
PSA (Ų)
0.72
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 C15H15N3O
MW 253.31
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.95

Activity Summary

IC50 1 meas. best 4.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-specific 3',5'-cyclic phosphodiesterase
CHEMBL1827
IC50 4.48 4.48 33000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8388468 10.1021/jm00062a011 cGMP-specific 3',5'-cyclic phosphodiesterase 1
8388468 10.1021/jm00062a011 Phosphodiesterase 3 1
8388468 10.1021/jm00062a011 Phosphodiesterase 4 1

Data from ChEMBL 36 via Core Engine