Compound Detail
CHEMBL216281
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Basic Information
| ChEMBL ID | CHEMBL216281 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPBYCCUTXNVVAE-CJLVFECKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
4.44
ALogP
4
HBA
1
HBD
55.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily A member 5 CHEMBL4306 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
| Voltage-gated L-type calcium channel CHEMBL2095229 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
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 | = | 21.0 | nM | 7.68 | Inhibition of Kv1.5 expressed in LTK- cells by whole cell patch clamp assay | 16942878 |
| Voltage-gated L-type calcium channel | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of L-type calcium channel by FLIPR assay | 16942878 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16942878 | 10.1016/j.bmcl.2006.08.059 | Potassium voltage-gated channel subfamily A member 5 | 2 |
| 16942878 | 10.1016/j.bmcl.2006.08.059 | Unchecked | 2 |
| 16942878 | 10.1016/j.bmcl.2006.08.059 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 16942878 | 10.1016/j.bmcl.2006.08.059 | Voltage-gated L-type calcium channel | 1 |
Data from ChEMBL 36 via Core Engine