Compound Detail
CHEMBL131971
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Basic Information
| ChEMBL ID | CHEMBL131971 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDBOSDQLHXHDSC-UHFFFAOYSA-N |
4
Targets
8
Activities
2
Assay Types
3
PK Parameters
6
Publications
0
Known Names
Molecular Properties
279.8
MW (Da)
1.87
ALogP
5
HBA
2
HBD
70.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.75
EC50 3 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
| Beta-TC6 CHEMBL614357 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
| Sulfonylurea receptor 1, Kir6.2 CHEMBL2096972 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.22 | 6.22 | 600.0 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 5.21 | 5.21 | 6200.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | -1187.0 | % | - |
| F | 65.0 | % | Rattus norvegicus |
| T1/2 | 2.733 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 180.0 | nM | 6.75 | Inhibition of glucose-stimulated insulin release from Wistar rat islets | 12213059 |
| Beta-TC6 | IC50 | = | 230.0 | nM | 6.64 | Ability to inhibit the release of insulin from the mouse beta-TC6 cell line | 12213059 |
| Sulfonylurea receptor 1, Kir6.2 | IC50 | = | 340.0 | nM | 6.47 | Inhibition of [3H]glibenclamide binding to HEK293 cells co-expressing human Sulf... | 12213059 |
| Unchecked | EC50 | = | 600.0 | nM | 6.22 | Changes in potassium fluxes assessed in the glucose responsive insulin-producing... | 12213059 |
| Rattus norvegicus | EC50 | = | 6200.0 | nM | 5.21 | Vasodilation effects on Wistar rat mesenteric arteries precontracted with phenyl... | 12213059 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12213059 | 10.1021/jm0208121 | Rattus norvegicus | 7 |
| 12213059 | 10.1021/jm0208121 | Sulfonylurea receptor 1, Kir6.2 | 3 |
| 12213059 | 10.1021/jm0208121 | ADMET | 3 |
| 12213059 | 10.1021/jm0208121 | Beta-TC6 | 2 |
| 12213059 | 10.1021/jm0208121 | No relevant target | 2 |
| 12213059 | 10.1021/jm0208121 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine