Compound Detail
CHEMBL168623
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Basic Information
| ChEMBL ID | CHEMBL168623 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITUMVNGVTAWTFC-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
232.1
MW (Da)
1.68
ALogP
4
HBA
2
HBD
58.0
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.55
IC50 1 meas. best 4.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Felis catus CHEMBL612670 | EC50 | 5.55 | 5.47 | 2800.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.42 | 4.42 | 38000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Felis catus | EC50 | = | 2800.0 | nM | 5.55 | The inotropic activity was assayed in vitro in cat papillary muscle | 2832602 |
| Felis catus | EC50 | = | 4100.0 | nM | 5.39 | The inotropic activity was assayed in vitro in cat papillary muscle | 2832602 |
| Unchecked | IC50 | = | 38000.0 | nM | 4.42 | Inhibition of bovine cardiac phosphodiesterase fraction III | 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 | 1 |
Data from ChEMBL 36 via Core Engine