Compound Detail
CHEMBL419135
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 | CHEMBL419135 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VALGLZFTZIHPIT-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
368.4
MW (Da)
2.31
ALogP
5
HBA
1
HBD
98.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 5.72 | 5.71 | 1900.0 | 2 |
| PBMC CHEMBL613107 | IC50 | 5.57 | 5.57 | 2700.0 | 2 |
| Blood CHEMBL613416 | IC50 | 4.98 | 4.98 | 10500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of human PDE4 | 19256507 |
| Phosphodiesterase 4 | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of PDE4 enzyme from U937 cells | 9873600 |
| PBMC | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of LPS stimulated Tumor Necrosis Factor-alpha (TNF-alpha) release by ... | 9873600 |
| PBMC | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of TNFalpha production in LPS-stimulated human PBMC preincubated befo... | 19256507 |
| Blood | IC50 | = | 10500.0 | nM | 4.98 | Inhibition of TNFalpha production in LPS-stimulated human whole blood preincubat... | 19256507 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873600 | 10.1016/s0960-894x(98)00475-2 | PBMC | 1 |
| 9873600 | 10.1016/s0960-894x(98)00475-2 | Phosphodiesterase 4 | 1 |
| 19256507 | 10.1021/jm900210d | Phosphodiesterase 4 | 1 |
| 19256507 | 10.1021/jm900210d | PBMC | 1 |
| 19256507 | 10.1021/jm900210d | Blood | 1 |
Data from ChEMBL 36 via Core Engine