Compound Detail
CHEMBL138455
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Basic Information
| ChEMBL ID | CHEMBL138455 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTMYSQYPVDIAEB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
453.6
MW (Da)
4.38
ALogP
5
HBA
1
HBD
48.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | EC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | EC50 | = | 1500.0 | nM | 5.82 | 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 | Rattus norvegicus | 3 |
Data from ChEMBL 36 via Core Engine