Compound Detail
CHEMBL332853
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
COc1cc2c3c(c1)C(c1ccccc1)=N[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N3CC2
Basic Information
| ChEMBL ID | CHEMBL332853 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DPTUFTUPBGLEMN-QHCPKHFHSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
445.9
MW (Da)
3.84
ALogP
4
HBA
1
HBD
71.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| Phosphodiesterase, PDE1/PDE5 CHEMBL2097161 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 4.21 | 4.21 | 62000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of phosphodiesterase 4 extracted from human U937 cells by using radio... | 10636238 |
| Phosphodiesterase, PDE1/PDE5 | IC50 | = | 40000.0 | nM | 4.4 | Inhibitory activity against phosphodiesterase 1/5 (PDE1/5) extracted from guinea... | 10636238 |
| Phosphodiesterase 3 | IC50 | = | 62000.0 | nM | 4.21 | Inhibition of Phosphodiesterase 3 extracted from dog aorta smooth muscle cells b... | 10636238 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10636238 | 10.1016/s0960-894x(99)00573-9 | Phosphodiesterase 4 | 2 |
| 10636238 | 10.1016/s0960-894x(99)00573-9 | Phosphodiesterase 3 | 1 |
| 10636238 | 10.1016/s0960-894x(99)00573-9 | Phosphodiesterase, PDE1/PDE5 | 1 |
Data from ChEMBL 36 via Core Engine