Compound Detail
CHEMBL290100
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 | CHEMBL290100 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IURSWTQMXOIIAU-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
379.2
MW (Da)
4.60
ALogP
5
HBA
1
HBD
81.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 9.0 | 8.8667 | 1.0 | 3 |
| Phosphodiesterase 4 CHEMBL2094267 | IC50 | 7.7 | 7.53 | 20.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of Phosphodiesterase 4 (PDE-4) from human U937 cells | 12039574 |
| Phosphodiesterase 4 | IC50 | = | 1.6 | nM | 8.8 | Inhibition of Phosphodiesterase 4 from human U937 cells | 10999488 |
| Phosphodiesterase 4 | IC50 | = | 1.6 | nM | 8.8 | Inhibition of PDE4 in Homo sapiens (human) U937 cells | - |
| Phosphodiesterase 4 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of rolipram binding in rat brain | 12039574 |
| Phosphodiesterase 4 | IC50 | = | 43.4 | nM | 7.36 | Inhibition of rolipram binding to rat brain tissue at 20 uM | 10999488 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12039574 | 10.1016/s0960-894x(02)00223-8 | Phosphodiesterase 4 | 3 |
| 10999488 | 10.1016/s0960-894x(00)00426-1 | Phosphodiesterase 4 | 2 |
| 12039574 | 10.1016/s0960-894x(02)00223-8 | Phosphodiesterase 3 | 1 |
| 10999488 | 10.1016/s0960-894x(00)00426-1 | Phosphodiesterase 3 | 1 |
| 10999488 | 10.1016/s0960-894x(00)00426-1 | Unchecked | 1 |
| - | 10.1007/s00044-012-0457-4 | Phosphodiesterase 4 | 1 |
Data from ChEMBL 36 via Core Engine