Compound Detail
CHEMBL188658
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Basic Information
| ChEMBL ID | CHEMBL188658 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YIVQZVDDGANOPV-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
306.2
MW (Da)
2.05
ALogP
4
HBA
2
HBD
70.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.92
IC50 1 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | EC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 5.72 | 5.72 | 1890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | EC50 | = | 1200.0 | nM | 5.92 | Concentration required to relax KCl induced rat aorta ring contractions by 50% u... | 16033278 |
| Rattus norvegicus | IC50 | = | 1890.0 | nM | 5.72 | Concentration required to inhibit insulin release in rat pancreatic islets by 50... | 16033278 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16033278 | 10.1021/jm0580050 | Rattus norvegicus | 5 |
Data from ChEMBL 36 via Core Engine