Compound Detail
CHEMBL345052
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Basic Information
| ChEMBL ID | CHEMBL345052 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANGLBIQQDUPXGG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
467.6
MW (Da)
4.45
ALogP
6
HBA
1
HBD
72.9
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | EC50 | 6.38 | 5.95 | 420.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | EC50 | = | 420.0 | nM | 6.38 | The compound was tested for its cardiovascular activity in rat heart model. prod... | 1447743 |
| Rattus norvegicus | EC50 | = | 3000.0 | nM | 5.52 | The compound was tested for its cardiovascular activity in rat heart model. prod... | 1447743 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1447743 | 10.1021/jm00101a022 | Canis familiaris | 12 |
| 1447743 | 10.1021/jm00101a022 | Rattus norvegicus | 4 |
| 1447743 | 10.1021/jm00101a022 | Voltage-gated L-type calcium channel | 1 |
| 1447743 | 10.1021/jm00101a022 | Cavia porcellus | 1 |
| 1447743 | 10.1021/jm00101a022 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine