Compound Detail
CHEMBL3112603
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
Basic Information
| ChEMBL ID | CHEMBL3112603 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QGXYRJFTOQJWBR-HNNXBMFYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
420.2
MW (Da)
4.29
ALogP
4
HBA
1
HBD
65.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 8.03 | 7.175 | 9.4 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.32 | 6.32 | 479.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 9.44 | nM | 8.03 | Inhibition of PDE4 isolated from human U937 cells assessed as reduction in cAMP ... | 24400806 |
| Phosphodiesterase 4 | IC50 | = | 479.0 | nM | 6.32 | Inhibition of PDE4 activity in human PBMC assessed as inhibition of LPS-induced ... | 24400806 |
| Unchecked | IC50 | = | 479.6 | nM | 6.32 | Inhibition of PDE4 in human PBMC assessed as reduction in LPS-induced TNFalpha r... | 29200281 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24400806 | 10.1021/jm401549m | Phosphodiesterase 4 | 2 |
| 29200281 | 10.1021/acs.jmedchem.7b01044 | ADMET | 2 |
| 29200281 | 10.1021/acs.jmedchem.7b01044 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine