Compound Detail
CHEMBL53841
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Basic Information
| ChEMBL ID | CHEMBL53841 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WIXOVCHGCCZODL-DARPEHSRSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
352.9
MW (Da)
5.82
ALogP
2
HBA
0
HBD
17.3
PSA (Ų)
0.48
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily A member 3 CHEMBL4633 | IC50 | 7.5 | 6.985 | 32.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.09 | 6.09 | 820.0 | 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 | IC50 | = | 32.0 | nM | 7.5 | Concentration inhibiting [125I]ChTX (charybdotoxin) binding to N-type potassium ... | 7540207 |
| Potassium voltage-gated channel subfamily A member 3 | IC50 | = | 335.0 | nM | 6.47 | Inhibition of outward potassium currents (IKn) in human T-lymphocyte N-type pota... | 7540207 |
| Unchecked | IC50 | = | 820.0 | nM | 6.09 | Inhibition of [3H]dofetilide binding to guinea pig cardiac potassium (K+) channe... | 7540207 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7540207 | 10.1021/jm00011a007 | Potassium voltage-gated channel subfamily A member 3 | 2 |
| 7540207 | 10.1021/jm00011a007 | Unchecked | 1 |
| 7540207 | 10.1021/jm00011a007 | No relevant target | 1 |
| 7540207 | 10.1021/jm00011a007 | ADMET | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine