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Compound Detail

CHEMBL4516467

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CCCCCCCCN1C=NC2C(=O)NC(Cc3ccccc3)=NC21

Basic Information

ChEMBL ID CHEMBL4516467
Phase Preclinical
Structure Type MOL
InChI Key ARZUNTANKQVOPO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

340.5
MW (Da)
3.16
ALogP
4
HBA
1
HBD
57.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H28N4O
MW 340.47
Aromatic Rings 1
Heavy Atoms 25

Activity Summary

IC50 1 meas. best 5.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-dependent 3',5'-cyclic phosphodiesterase
CHEMBL2652
IC50 5.37 5.37 4280.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
30554955 10.1016/j.bmcl.2018.12.018 cGMP-dependent 3',5'-cyclic phosphodiesterase 1

Data from ChEMBL 36 via Core Engine