Compound Detail
CHEMBL90665
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Basic Information
| ChEMBL ID | CHEMBL90665 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RWKUHWSJRXCLDP-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
227.3
MW (Da)
1.81
ALogP
3
HBA
2
HBD
84.0
PSA (Ų)
0.35
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.72
Ki 1 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sulfonylurea receptor 2, Kir6.2 CHEMBL2095198 | Ki | 5.14 | 5.14 | 7300.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 4.72 | 4.72 | 19000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sulfonylurea receptor 2, Kir6.2 | Ki | = | 7300.0 | nM | 5.14 | Binding affinity was determined by displacement of [3H]P1075 from its binding si... | 9464357 |
| Rattus norvegicus | IC50 | = | 19000.0 | nM | 4.72 | Inhibitory concentration against methoxamine-induced contractions in rat aorta | 9464357 |
| Rattus norvegicus | IC50 | = | 19000.0 | nM | 4.72 | Vasorelaxant potency required to relax methoxamine contracted male Wistar Kyoto ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9464357 | 10.1021/jm970762d | Sulfonylurea receptor 2, Kir6.2 | 2 |
| 9464357 | 10.1021/jm970762d | Rattus norvegicus | 2 |
| - | 10.1016/S0960-894X(00)80661-7 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine