Compound Detail
CHEMBL27129
SINITRODIL 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL27129 |
| Name | SINITRODIL |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | POVFCWQCRHXYAB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
1
Known Names
Molecular Properties
238.2
MW (Da)
0.69
ALogP
5
HBA
0
HBD
81.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 1 meas. best 7.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | IC50 | 7.03 | 7.03 | 94.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | IC50 | = | 94.0 | nM | 7.03 | Vasorelaxation activity in the isolated endothelium-denuded rabbit aorta | 7837224 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7837224 | 10.1021/jm00001a018 | Rattus norvegicus | 5 |
| 7837224 | 10.1021/jm00001a018 | Oryctolagus cuniculus | 1 |
| 7837224 | 10.1021/jm00001a018 | No relevant target | 1 |
| 19603833 | 10.1021/jm9004658 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine