Compound Detail
CHEMBL300661
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Basic Information
| ChEMBL ID | CHEMBL300661 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BXVPBVNVDVADOP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
458.1
MW (Da)
5.05
ALogP
4
HBA
1
HBD
60.5
PSA (Ų)
0.59
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4A CHEMBL3333 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4A | IC50 | = | 70.0 | nM | 7.16 | Inhibitory potency against pig aortic PDE IV | 8201604 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8201604 | 10.1021/jm00037a021 | Phosphodiesterase 4A | 1 |
Data from ChEMBL 36 via Core Engine