Compound Detail
CHEMBL2326489
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Basic Information
| ChEMBL ID | CHEMBL2326489 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWBVNNFHWXWIGX-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
247.4
MW (Da)
2.30
ALogP
4
HBA
1
HBD
42.1
PSA (Ų)
0.84
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.72
Ki 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 5.6 | 5.6 | 2500.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.54 | 4.54 | 29000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 2500.0 | nM | 5.6 | Displacement of [3H]raclopride from human D2 dopamine receptor expressed in CHO ... | 23237836 |
| D(2) dopamine receptor | IC50 | = | 19000.0 | nM | 4.72 | Antagonist activity at human D2 dopamine receptor expressed in CHO cell membrane... | 23237836 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 29000.0 | nM | 4.54 | Inhibition of human ERG | 23237836 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23237836 | 10.1016/j.bmcl.2012.11.023 | D(2) dopamine receptor | 3 |
| 23237836 | 10.1016/j.bmcl.2012.11.023 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine