Compound Detail
CHEMBL165705
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Basic Information
| ChEMBL ID | CHEMBL165705 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALVGVSNLGSNJPY-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
295.1
MW (Da)
2.26
ALogP
5
HBA
2
HBD
70.9
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.6
IC50 2 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Felis catus CHEMBL612670 | EC50 | 5.6 | 5.505 | 2500.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.82 | 4.64 | 15000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Felis catus | EC50 | = | 2500.0 | nM | 5.6 | In vitro inotropic effect in cat papillary muscle | 2832602 |
| Felis catus | EC50 | = | 3900.0 | nM | 5.41 | The inotropic activity was assayed in vitro in cat papillary muscle | 2832602 |
| Unchecked | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of bovine cardiac phosphodiesterase fraction III | 2832602 |
| Unchecked | IC50 | = | 35000.0 | nM | 4.46 | Inhibition of crude bovine cardiac phosphodiesterase | 2832602 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2832602 | 10.1021/jm00399a023 | Canis familiaris | 7 |
| 2832602 | 10.1021/jm00399a023 | Felis catus | 4 |
| 2832602 | 10.1021/jm00399a023 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine