Compound Detail
CHEMBL2335408
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Basic Information
| ChEMBL ID | CHEMBL2335408 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYOXUGWDXPAIKN-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
536.4
MW (Da)
3.94
ALogP
8
HBA
5
HBD
133.2
PSA (Ų)
0.22
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.47
IC50 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL5414 | EC50 | 8.47 | 8.47 | 3.4 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 5.96 | 5.96 | 1093.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | EC50 | = | 3.388 | nM | 8.47 | Agonist activity at beta2-adrenoceptor in guinea pig trachea assessed as relaxat... | 23375225 |
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 1093.0 | nM | 5.96 | Inhibition of human recombinant PDE4B2 assessed as decrease in cAMP hydrolysis p... | 23375225 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23375225 | 10.1016/j.bmcl.2012.11.058 | Beta-2 adrenergic receptor | 3 |
| 23375225 | 10.1016/j.bmcl.2012.11.058 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
Data from ChEMBL 36 via Core Engine