Compound Detail
CHEMBL56998
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Basic Information
| ChEMBL ID | CHEMBL56998 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NUVAESYZKBWWIC-NJNXFGOHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
387.4
MW (Da)
6.48
ALogP
2
HBA
0
HBD
17.3
PSA (Ų)
0.41
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily A member 3 CHEMBL4633 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.49 | 5.49 | 3230.0 | 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 | = | 100.0 | nM | 7.0 | Concentration inhibiting [125I]ChTX (charybdotoxin) binding to N-type potassium ... | 7540207 |
| Unchecked | IC50 | = | 3230.0 | nM | 5.49 | 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 | 1 |
| 7540207 | 10.1021/jm00011a007 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine