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

CHEMBL85784

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(C2=NN(C3CCCCCC3)C(=O)C3CCCCC23)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL85784
Phase Preclinical
Structure Type MOL
InChI Key IPBKYRYKTIGBGW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

384.5
MW (Da)
4.78
ALogP
4
HBA
0
HBD
51.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H32N2O3
MW 384.52
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -0.30

Activity Summary

IC50 1 meas. best 8.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphodiesterase 4
CHEMBL2093863
 IC50 8.6 8.6 2.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phosphodiesterase 4 IC50 = 2.512 nM 8.6 Inhibitory concentration against phosphodiesterase 4 (PDE4) in cytosol of human ... 12036360

Literature References

PubMed DOI Target Context # Activities
12036360 10.1021/jm0110340 Phosphodiesterase 4 2
12036360 10.1021/jm0110340 Unchecked 2
12036360 10.1021/jm0110340 Mus musculus 1

Data from ChEMBL 36 via Core Engine