Compound Detail
CHEMBL443039
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Basic Information
| ChEMBL ID | CHEMBL443039 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFSZQYPBQODQAA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
269.3
MW (Da)
2.18
ALogP
6
HBA
2
HBD
94.7
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Felis catus CHEMBL612670 | EC50 | 5.0 | 4.74 | 10000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Felis catus | EC50 | = | 10000.0 | nM | 5.0 | Chronotropic effects were assayed in vitro in the isolated right artium of the c... | 2832602 |
| Felis catus | EC50 | = | 33000.0 | nM | 4.48 | The inotropic activity was assayed in vitro in cat papillary muscle | 2832602 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2832602 | 10.1021/jm00399a023 | Felis catus | 2 |
| 2832602 | 10.1021/jm00399a023 | Canis familiaris | 1 |
Data from ChEMBL 36 via Core Engine