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

CHEMBL347523

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
CCC(O)CN(C(=O)CCCCOc1ccc2c(c1)CCC(=O)N2)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL347523
Phase Preclinical
Structure Type MOL
InChI Key KPGCOKDHPMZLFJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

410.5
MW (Da)
3.92
ALogP
4
HBA
2
HBD
78.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H30N2O4
MW 410.51
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.86

Activity Summary

IC50 1 meas. best 7.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphodiesterase 3
CHEMBL2094125
 IC50 7.14 7.14 73.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phosphodiesterase 3 IC50 = 73.0 nM 7.14 Inhibition of low Km cAMP phosphodiesterase PDE III of human platelets 2985781

Literature References

PubMed DOI Target Context # Activities
2985781 10.1021/jm50001a001 Phosphodiesterase 1 1
2985781 10.1021/jm50001a001 Phosphodiesterase 3 1

Data from ChEMBL 36 via Core Engine