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Compound Detail

CHEMBL339775

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CCCOc1ccccc1CNc1ncnc2c(OC)c(OC)c(OC)cc12

Basic Information

ChEMBL ID CHEMBL339775
Phase Preclinical
Structure Type MOL
InChI Key PPFYNUGDSIHBIJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

383.4
MW (Da)
4.06
ALogP
7
HBA
1
HBD
74.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25N3O4
MW 383.45
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.78

Activity Summary

IC50 1 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-specific 3',5'-cyclic phosphodiesterase
CHEMBL1827
IC50 5.7 5.7 2000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8254606 10.1021/jm00076a003 cGMP-specific 3',5'-cyclic phosphodiesterase 1

Data from ChEMBL 36 via Core Engine