Compound Detail
CHEMBL571976
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Basic Information
| ChEMBL ID | CHEMBL571976 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GSXVIOPVSCTVSK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
4
Publications
0
Known Names
Molecular Properties
428.3
MW (Da)
5.66
ALogP
5
HBA
1
HBD
47.7
PSA (Ų)
0.45
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily A member 5 CHEMBL4306 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 35.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 51.0 | % | Rattus norvegicus |
| T1/2 | 0.57 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily A member 5 | IC50 | = | 15.0 | nM | 7.82 | Inhibition of human Kv1.5 channel expressed in mouse L929 cells | 19665893 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19665893 | 10.1016/j.bmcl.2009.07.083 | Unchecked | 4 |
| 19665893 | 10.1016/j.bmcl.2009.07.083 | Rattus norvegicus | 4 |
| 19665893 | 10.1016/j.bmcl.2009.07.083 | Potassium voltage-gated channel subfamily A member 5 | 1 |
| 19665893 | 10.1016/j.bmcl.2009.07.083 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine