Compound Detail
CHEMBL5285443
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Basic Information
| ChEMBL ID | CHEMBL5285443 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKWXOUKSWCMBBN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
8
PK Parameters
2
Publications
0
Known Names
Molecular Properties
377.5
MW (Da)
3.89
ALogP
8
HBA
1
HBD
80.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sulfonylurea receptor 1, Kir6.2 CHEMBL2096972 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 120.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 1168.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 3.02 | mL.min-1.kg-1 | Rattus norvegicus |
| Fu | 0.0001 | - | Rattus norvegicus |
| Fu | 0.0001 | - | Homo sapiens |
| Fu | 0.0001 | - | Rattus norvegicus |
| MRT | 2.12 | hr | Rattus norvegicus |
| T1/2 | 3.11 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sulfonylurea receptor 1, Kir6.2 | EC50 | = | 100.0 | nM | 7.0 | Activation of Kir6.2/SUR1 (unknown origin) channel opening expressed in human T-... | 36966977 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36966977 | 10.1016/j.bmcl.2023.129256 | ADMET | 10 |
| 36966977 | 10.1016/j.bmcl.2023.129256 | Sulfonylurea receptor 1, Kir6.2 | 1 |
Data from ChEMBL 36 via Core Engine