Compound Detail
CHEMBL187887
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Basic Information
| ChEMBL ID | CHEMBL187887 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJTBWTMVMIWVJP-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
303.8
MW (Da)
2.09
ALogP
4
HBA
2
HBD
70.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.4
IC50 1 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 4.4 | 4.4 | 39900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 230.0 | nM | 6.64 | Concentration required to inhibit insulin release in rat pancreatic islets by 50... | 16033278 |
| Rattus norvegicus | EC50 | = | 39900.0 | nM | 4.4 | Concentration required to relax KCl induced rat aorta ring contractions by 50% u... | 16033278 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16033278 | 10.1021/jm0580050 | Rattus norvegicus | 6 |
Data from ChEMBL 36 via Core Engine