Compound Detail
CHEMBL4065169
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Basic Information
| ChEMBL ID | CHEMBL4065169 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QPWKXYZJANVPLF-DEOSSOPVSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
448.5
MW (Da)
4.35
ALogP
5
HBA
1
HBD
84.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily A member 5 CHEMBL4306 | IC50 | 8.05 | 8.005 | 9.0 | 2 |
| Voltage-gated potassium channel, IKs; KCNQ1(Kv7.1)/KCNE1(MinK) CHEMBL2221347 | IC50 | 6.1 | 6.1 | 790.0 | 1 |
| A-type voltage-gated potassium channel KCND3 CHEMBL1964 | IC50 | 5.64 | 5.64 | 2300.0 | 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 | = | 9.0 | nM | 8.05 | Inhibition of Kv1.5 (unknown origin) | 28131713 |
| Potassium voltage-gated channel subfamily A member 5 | IC50 | = | 11.0 | nM | 7.96 | Inhibition of Kv1.5 mediated ultra-rapid delayed rectifier current Ikur in human... | 28131713 |
| Voltage-gated potassium channel, IKs; KCNQ1(Kv7.1)/KCNE1(MinK) | IC50 | = | 790.0 | nM | 6.1 | Inhibition of human KCNQ1/KCNE1 expressed in HEK293 cells assessed as reduction ... | 28131713 |
| A-type voltage-gated potassium channel KCND3 | IC50 | = | 2300.0 | nM | 5.64 | Inhibition of Kv4.3 (unknown origin) assessed as reduction in transient outward ... | 28131713 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28131713 | 10.1016/j.bmcl.2016.12.054 | Canis familiaris | 3 |
| 28131713 | 10.1016/j.bmcl.2016.12.054 | Potassium voltage-gated channel subfamily A member 5 | 2 |
| 28131713 | 10.1016/j.bmcl.2016.12.054 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 2 |
| 28131713 | 10.1016/j.bmcl.2016.12.054 | Voltage-gated potassium channel, IKs; KCNQ1(Kv7.1)/KCNE1(MinK) | 1 |
| 28131713 | 10.1016/j.bmcl.2016.12.054 | A-type voltage-gated potassium channel KCND3 | 1 |
| 28131713 | 10.1016/j.bmcl.2016.12.054 | Sodium channel protein type 5 subunit alpha | 1 |
| 28131713 | 10.1016/j.bmcl.2016.12.054 | ADMET | 1 |
| 28131713 | 10.1016/j.bmcl.2016.12.054 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine