Compound Detail
CHEMBL3590452
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Basic Information
| ChEMBL ID | CHEMBL3590452 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPLLWIZMHGMEIQ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
3.84
ALogP
6
HBA
0
HBD
98.8
PSA (Ų)
0.34
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 9.14
Ki 1 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | Kd | 9.14 | 9.14 | 0.7 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | Ki | 8.8 | 8.8 | 1.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 | Kd | = | 0.73 | nM | 9.14 | Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as ... | 26125327 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | Ki | = | 1.6 | nM | 8.8 | Displacement of [3H]dofetilide from human Kv11.1 expressed in HEK293 cell membra... | 26125327 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26125327 | 10.1021/acs.jmedchem.5b00518 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 5 |
Data from ChEMBL 36 via Core Engine