Compound Detail
CHEMBL138804
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Basic Information
| ChEMBL ID | CHEMBL138804 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQHYPZHXYKFUTK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
289.3
MW (Da)
3.43
ALogP
4
HBA
1
HBD
59.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | EC50 | 4.62 | 4.62 | 24000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | EC50 | = | 24000.0 | nM | 4.62 | In vitro inotropic activity in isolated left atria from guinea pig. | 1447745 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1447745 | 10.1021/jm00101a024 | Canis familiaris | 5 |
| 1447745 | 10.1021/jm00101a024 | Cavia porcellus | 4 |
Data from ChEMBL 36 via Core Engine