Compound Detail
CHEMBL5403198
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Basic Information
| ChEMBL ID | CHEMBL5403198 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INDQWCZNKQMMFM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
12
PK Parameters
6
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
3.35
ALogP
6
HBA
1
HBD
60.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Small conductance calcium-activated potassium channel protein 3 CHEMBL3381 | EC50 | 6.7 | 6.7 | 200.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.47 | 6.47 | 340.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 2427.99 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 244.72 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 1105.71 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 1168.28 | ng.hr.mL-1 | Rattus norvegicus |
| Cmax | 1512.33 | nM | Rattus norvegicus |
| Cmax | 5221.03 | nM | Rattus norvegicus |
| F | 23.6 | % | Rattus norvegicus |
| MRT | 3.373 | hr | Rattus norvegicus |
| MRT | 1.512 | hr | Rattus norvegicus |
| T1/2 | 1.433 | hr | Rattus norvegicus |
| T1/2 | 2.63 | hr | Rattus norvegicus |
| Tmax | 2.667 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Small conductance calcium-activated potassium channel protein 3 | EC50 | = | 200.0 | nM | 6.7 | Activation of SK3 (unknown origin) expressed in HEK293 cells coexpressing CaM/GF... | 37068385 |
| Unchecked | EC50 | = | 340.0 | nM | 6.47 | Activation of rat SK2 variant a transfected in human tsA201 cells coexpressing C... | 37068385 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37068385 | 10.1016/j.ejmech.2023.115353 | ADMET | 17 |
| 37068385 | 10.1016/j.ejmech.2023.115353 | Unchecked | 3 |
| 37068385 | 10.1016/j.ejmech.2023.115353 | Intermediate conductance calcium-activated potassium channel protein 4 | 2 |
| 37068385 | 10.1016/j.ejmech.2023.115353 | Small conductance calcium-activated potassium channel protein 1 | 2 |
| 37068385 | 10.1016/j.ejmech.2023.115353 | Small conductance calcium-activated potassium channel protein 3 | 2 |
| 37068385 | 10.1016/j.ejmech.2023.115353 | HUVEC | 1 |
Data from ChEMBL 36 via Core Engine