Compound Detail
CHEMBL3298231
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Basic Information
| ChEMBL ID | CHEMBL3298231 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYMVSAPTKYQTRO-FEHRVWHQSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
436.6
MW (Da)
4.62
ALogP
6
HBA
2
HBD
77.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily A member 5 CHEMBL4306 | IC50 | 7.06 | 7.06 | 88.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 8.0 | mL.min-1.kg-1 | Rattus norvegicus |
| T1/2 | 1.4 | 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 | = | 88.0 | nM | 7.06 | Inhibition of human Kv1.5 expressed in mouse L929 cells assessed as inhibition o... | 24881565 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24881565 | 10.1016/j.bmcl.2014.05.035 | Rattus norvegicus | 3 |
| 24881565 | 10.1016/j.bmcl.2014.05.035 | Potassium voltage-gated channel subfamily A member 5 | 1 |
| 24881565 | 10.1016/j.bmcl.2014.05.035 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 24881565 | 10.1016/j.bmcl.2014.05.035 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine