Compound Detail
CHEMBL453093
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Basic Information
| ChEMBL ID | CHEMBL453093 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNVIIHPWPKHZAP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
382.2
MW (Da)
3.94
ALogP
6
HBA
1
HBD
86.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.85 | 7.465 | 14.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 54.0 | % | Cavia porcellus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 14.0 | nM | 7.85 | Inhibition of PDE4 | 18686943 |
| Unchecked | IC50 | = | 84.0 | nM | 7.08 | Displacement of [3H]rolipram from PDE4 by RBA | 18686943 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18686943 | 10.1021/jm800582j | Cavia porcellus | 2 |
| 18686943 | 10.1021/jm800582j | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine