Compound Detail
CHEMBL277417
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Basic Information
| ChEMBL ID | CHEMBL277417 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKSBQMVEMOFIRR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
271.3
MW (Da)
3.42
ALogP
4
HBA
0
HBD
44.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily A member 3 CHEMBL4818 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| N1E-115 CHEMBL612553 | IC50 | 4.42 | 4.42 | 38000.0 | 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 | = | 5000.0 | nM | 5.3 | Blockade of peak steady-state K+ currents of voltage-gated potassium channel sub... | 11312924 |
| N1E-115 | IC50 | = | 38000.0 | nM | 4.42 | Inhibition of N1E-115 cells Kv channels | 11312924 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11312924 | 10.1021/jm001007u | N1E-115 | 5 |
| 11312924 | 10.1021/jm001007u | Potassium voltage-gated channel subfamily A member 3 | 4 |
Data from ChEMBL 36 via Core Engine