Compound Detail
CHEMBL3261431
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Basic Information
| ChEMBL ID | CHEMBL3261431 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HFMHYLCYABPWMX-OWOJBTEDSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
299.3
MW (Da)
2.06
ALogP
3
HBA
4
HBD
99.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily A member 6 CHEMBL5279 | IC50 | 5.1 | 5.1 | 7900.0 | 1 |
| Potassium voltage-gated channel subfamily A member 4 CHEMBL4205 | IC50 | 5.06 | 5.06 | 8800.0 | 1 |
| Potassium voltage-gated channel subfamily A member 3 CHEMBL4633 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily A member 6 | IC50 | = | 7900.0 | nM | 5.1 | Inhibition of human Kv1.6 expressed in CHO cells at -80 mV holding potential by ... | 28802123 |
| Potassium voltage-gated channel subfamily A member 4 | IC50 | = | 8800.0 | nM | 5.06 | Inhibition of human Kv1.4 expressed in CHO cells at -80 mV holding potential by ... | 28802123 |
| Potassium voltage-gated channel subfamily A member 3 | IC50 | = | 14000.0 | nM | 4.85 | Inhibition of human Kv1.3 expressed in CHO cells at -80 mV holding potential by ... | 28802123 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24755428 | 10.1016/j.bmcl.2014.03.094 | Staphylococcus aureus | 2 |
| 24755428 | 10.1016/j.bmcl.2014.03.094 | Streptococcus mutans | 2 |
| 28802123 | 10.1016/j.ejmech.2017.08.015 | Potassium voltage-gated channel subfamily A member 1 | 2 |
| 28802123 | 10.1016/j.ejmech.2017.08.015 | Potassium voltage-gated channel subfamily A member 2 | 2 |
| 28802123 | 10.1016/j.ejmech.2017.08.015 | Potassium voltage-gated channel subfamily A member 3 | 2 |
| 28802123 | 10.1016/j.ejmech.2017.08.015 | Potassium voltage-gated channel subfamily A member 4 | 2 |
| 28802123 | 10.1016/j.ejmech.2017.08.015 | Potassium voltage-gated channel subfamily A member 5 | 2 |
| 28802123 | 10.1016/j.ejmech.2017.08.015 | Potassium voltage-gated channel subfamily A member 6 | 2 |
| 24755428 | 10.1016/j.bmcl.2014.03.094 | Pseudomonas aeruginosa | 1 |
| - | 10.1039/C4MD00286E | HepG2 | 1 |
| 28802123 | 10.1016/j.ejmech.2017.08.015 | Voltage-gated delayed rectifier potassium channel KCNH1 | 1 |
Data from ChEMBL 36 via Core Engine