Compound Detail
CHEMBL297555
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 | CHEMBL297555 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AEVXMUCLERMJMB-UHFFFAOYSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
369.2
MW (Da)
4.83
ALogP
4
HBA
1
HBD
60.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.6
EC50 1 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 8.6 | 8.335 | 2.5 | 2 |
| Phosphodiesterase 4A CHEMBL3333 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Cavia porcellus CHEMBL369 | IC50 | 6.32 | 6.32 | 480.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.11 | 4.975 | 7700.0 | 2 |
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 4.75 | 4.75 | 17700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 2.5 | nM | 8.6 | Inhibition of solubilized eosinophil PDE IV | 8201604 |
| Phosphodiesterase 4A | IC50 | = | 8.0 | nM | 8.1 | Inhibitory potency against pig aortic PDE IV | 8201604 |
| Phosphodiesterase 4 | IC50 | = | 8.5 | nM | 8.07 | Inhibition of guinea pig PDE IV | 8201604 |
| Cavia porcellus | IC50 | = | 480.0 | nM | 6.32 | Inhibition of superoxide O2-generation from guinea pig peritoneal eosinophils | 8201604 |
| Unchecked | IC50 | = | 7700.0 | nM | 5.11 | Inhibition of His-tagged catalytic domain Trypanosoma brucei brucei PDEB1 expres... | 22023548 |
| Unchecked | IC50 | = | 14300.0 | nM | 4.84 | Inhibition of His-tagged catalytic domain Trypanosoma brucei brucei PDEB2 expres... | 22023548 |
| Trypanosoma brucei brucei | EC50 | = | 17700.0 | nM | 4.75 | Antitrypanosomal activity against blood stream Trypanosoma brucei brucei 427 aft... | 22023548 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8201604 | 10.1021/jm00037a021 | Cavia porcellus | 5 |
| 8201604 | 10.1021/jm00037a021 | Phosphodiesterase 4 | 2 |
| 22023548 | 10.1021/jm201148s | Unchecked | 2 |
| 8201604 | 10.1021/jm00037a021 | Phosphodiesterase 4A | 1 |
| 22023548 | 10.1021/jm201148s | Trypanosoma brucei brucei | 1 |
Data from ChEMBL 36 via Core Engine