Compound Detail
CHEMBL90335
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Basic Information
| ChEMBL ID | CHEMBL90335 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACUIUVJHJBPANP-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
4.15
ALogP
4
HBA
0
HBD
39.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| Phosphodiesterase 4 CHEMBL2094267 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 4.51 | 4.51 | 31000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 2100.0 | nM | 5.68 | Inhibitory potency against guinea pig ventricular phosphodiesterase 4 | 11128646 |
| Phosphodiesterase 4 | IC50 | = | 4700.0 | nM | 5.33 | Displacement of [3H]rolipram from high affinity binding site (HARBS) in rat brai... | 11128646 |
| Phosphodiesterase 3 | IC50 | = | 31000.0 | nM | 4.51 | Inhibitory potency against guinea pig ventricular phosphodiesterase 3 | 11128646 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11128646 | 10.1016/s0960-894x(00)00548-5 | Phosphodiesterase 4 | 2 |
| 11128646 | 10.1016/s0960-894x(00)00548-5 | Cavia porcellus | 2 |
| 11128646 | 10.1016/s0960-894x(00)00548-5 | Phosphodiesterase 3 | 1 |
| 11128646 | 10.1016/s0960-894x(00)00548-5 | Canis familiaris | 1 |
Data from ChEMBL 36 via Core Engine