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

CHEMBL434741

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
CCc1nn(C2CCCC2)c2c1CCn1c-2nnc1C1CCOCC1

Basic Information

ChEMBL ID CHEMBL434741
Phase Preclinical
Structure Type MOL
InChI Key XKXKINZBFXDCOK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

341.5
MW (Da)
3.27
ALogP
6
HBA
0
HBD
57.8
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H27N5O
MW 341.46
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.09

Activity Summary

IC50 1 meas. best 6.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.64 6.64 230.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 230.0 nM 6.64 Inhibition of human eosinophil phosphodiesterase 17228876

Literature References

PubMed DOI Target Context # Activities
17228876 10.1021/jm060904g Unchecked 1

Data from ChEMBL 36 via Core Engine