Compound Detail
CHEMBL29849
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Basic Information
| ChEMBL ID | CHEMBL29849 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXXGFFBHXLMHAK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
498.4
MW (Da)
4.17
ALogP
5
HBA
1
HBD
54.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 6.19 | 6.19 | 652.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.89 | 5.89 | 1288.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 652.0 | nM | 6.19 | Binding affinity at Dopamine D3 receptors in rat striatum by [3H]-spiperone disp... | - |
| D(2) dopamine receptor | Ki | = | 1288.0 | nM | 5.89 | Binding affinity at Dopamine D2 receptors in rat striatum by [3H]spiperone displ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00231-4 | D(3) dopamine receptor | 1 |
| - | 10.1016/0960-894X(96)00231-4 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine