Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3338441

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COC(=O)c1ncc2cc(OCc3ccccn3)ccc2c1-c1cc(OC)c(OC)c(OC)c1

Basic Information

ChEMBL ID CHEMBL3338441
Phase Preclinical
Structure Type MOL
InChI Key SGWJKIHAJOXGJQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

460.5
MW (Da)
4.69
ALogP
8
HBA
0
HBD
89.0
PSA (Ų)
0.35
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H24N2O6
MW 460.49
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.52

Activity Summary

IC50 1 meas. best 7.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-specific 3',5'-cyclic phosphodiesterase
CHEMBL2304402
IC50 7.47 7.47 34.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
25442307 10.1016/j.bmcl.2014.09.082 Unchecked 1
25442307 10.1016/j.bmcl.2014.09.082 cGMP-specific 3',5'-cyclic phosphodiesterase 1

Data from ChEMBL 36 via Core Engine