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

CHEMBL3354275

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
COc1ccc(CNc2nc(N3CCOC(CO)C3)ncc2C(=O)NCc2ccccn2)cc1Cl

Basic Information

ChEMBL ID CHEMBL3354275
Phase Preclinical
Structure Type MOL
InChI Key FWDBTWXRJWPUQH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

499.0
MW (Da)
2.27
ALogP
9
HBA
3
HBD
121.7
PSA (Ų)
0.41
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 C24H27ClN6O4
MW 498.97
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.64

Activity Summary

IC50 1 meas. best 7.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-specific 3',5'-cyclic phosphodiesterase
CHEMBL2304402
IC50 7.5 7.5 32.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
25455484 10.1016/j.bmcl.2014.10.008 cGMP-specific 3',5'-cyclic phosphodiesterase 1

Data from ChEMBL 36 via Core Engine