Compound Detail
CHEMBL141680
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Basic Information
| ChEMBL ID | CHEMBL141680 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHEQLEGKKZNNTL-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
244.2
MW (Da)
2.99
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 4 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily A member 2 CHEMBL2086 | Kd | 4.75 | 4.75 | 18000.0 | 1 |
| Potassium voltage-gated channel subfamily A member 1 CHEMBL2309 | Kd | 4.25 | 4.25 | 56000.0 | 1 |
| Potassium voltage-gated channel subfamily A member 3 CHEMBL4818 | Kd | 4.05 | 4.05 | 90000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily A member 2 | Kd | = | 18000.0 | nM | 4.75 | Blockade of peak K+ currents against Kv1.2 gene | 9804693 |
| Potassium voltage-gated channel subfamily A member 1 | Kd | = | 56000.0 | nM | 4.25 | Blockade of peak K+ currents against Kv1.1 gene | 9804693 |
| Potassium voltage-gated channel subfamily A member 3 | Kd | = | 90000.0 | nM | 4.05 | Blockade of peak Kv1.3 potassium currents | 9804693 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9804693 | 10.1021/jm981032o | Potassium voltage-gated channel subfamily A member 1 | 3 |
| 9804693 | 10.1021/jm981032o | ADMET | 3 |
| 9804693 | 10.1021/jm981032o | Nucleic Acid | 2 |
| 9804693 | 10.1021/jm981032o | Potassium voltage-gated channel subfamily A member 2 | 1 |
| 9804693 | 10.1021/jm981032o | Potassium voltage-gated channel subfamily A member 3 | 1 |
| 9804693 | 10.1021/jm981032o | Potassium voltage-gated channel subfamily A member 5 | 1 |
| 9804693 | 10.1021/jm981032o | Potassium voltage-gated channel subfamily A member 6 | 1 |
| 9804693 | 10.1021/jm981032o | Voltage-gated potassium channel KCNC1 | 1 |
| 9804693 | 10.1021/jm981032o | Artemia salina | 1 |
Data from ChEMBL 36 via Core Engine