Compound Detail
CHEMBL3906400
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Basic Information
| ChEMBL ID | CHEMBL3906400 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTXGRXTXJLZYMG-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
336.3
MW (Da)
4.39
ALogP
5
HBA
0
HBD
61.8
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily A member 3 CHEMBL4633 | EC50 | 7.82 | 7.82 | 15.0 | 1 |
| Potassium voltage-gated channel subfamily A member 1 CHEMBL2309 | EC50 | 7.1 | 7.1 | 80.0 | 1 |
| Potassium voltage-gated channel subfamily A member 5 CHEMBL4306 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
| Potassium voltage-gated channel subfamily A member 4 CHEMBL4205 | EC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily A member 3 | EC50 | = | 15.0 | nM | 7.82 | Inhibition of Kv1.3 (unknown origin) | - |
| Potassium voltage-gated channel subfamily A member 1 | EC50 | = | 80.0 | nM | 7.1 | Inhibition of Kv1.1 (unknown origin) | - |
| Potassium voltage-gated channel subfamily A member 5 | EC50 | = | 100.0 | nM | 7.0 | Inhibition of Kv1.5 (unknown origin) | - |
| Potassium voltage-gated channel subfamily A member 4 | EC50 | = | 500.0 | nM | 6.3 | Inhibition of Kv1.4 (unknown origin) | - |
Data from ChEMBL 36 via Core Engine