Compound Detail
CHEMBL102025
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Basic Information
| ChEMBL ID | CHEMBL102025 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SYOLSSXYGJHFDG-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
269.3
MW (Da)
1.25
ALogP
4
HBA
2
HBD
70.6
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.45
IC50 1 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sulfonylurea receptor 1, Kir6.2 CHEMBL2096972 | EC50 | 6.45 | 6.425 | 356.0 | 2 |
| Rattus norvegicus CHEMBL376 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sulfonylurea receptor 1, Kir6.2 | EC50 | = | 356.0 | nM | 6.45 | Inhibition of Beta-cell KATP channel | 12270187 |
| Sulfonylurea receptor 1, Kir6.2 | EC50 | = | 398.11 | nM | 6.4 | Negative log EC50 for Beta-cell KATP channel | 12270187 |
| Rattus norvegicus | IC50 | = | 1300.0 | nM | 5.89 | Concentration required to inhibit insulin release in rat | 12852765 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12852765 | 10.1021/jm021117w | Rattus norvegicus | 7 |
| 12270187 | 10.1016/s0960-894x(02)00617-0 | Sulfonylurea receptor 1, Kir6.2 | 3 |
| 12270187 | 10.1016/s0960-894x(02)00617-0 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine