Compound Detail
CHEMBL12186
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Basic Information
| ChEMBL ID | CHEMBL12186 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PFOLMILRZUSKJO-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
438.9
MW (Da)
4.54
ALogP
3
HBA
1
HBD
40.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 8.0 | 8.0 | 10.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | IC50 | = | 2.3 | nM | 8.64 | Tested for the inhibition of [3H]spiperone binding to dopamine D2 receptor | 1348090 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of K+ channel activity in CHO cells expressing HERG Kv11.1 | 12729675 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of human ERG | 21185626 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1348090 | 10.1021/jm00084a014 | D(2) dopamine receptor | 3 |
| 1348090 | 10.1021/jm00084a014 | Rattus norvegicus | 2 |
| 12729675 | 10.1016/s0960-894x(03)00196-3 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 1348090 | 10.1021/jm00084a014 | Serotonin 2 (5-HT2) receptor | 1 |
| 21185626 | 10.1016/j.ejmech.2010.11.042 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine