Compound Detail
CHEMBL340006
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Basic Information
| ChEMBL ID | CHEMBL340006 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUIFDRGVGCKHAW-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
211.7
MW (Da)
2.08
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL265 | Ki | 7.34 | 7.34 | 46.0 | 1 |
| No relevant target CHEMBL2362975 | Ki | 7.3 | 7.3 | 50.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.58 | 6.58 | 265.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | Ki | = | 46.0 | nM | 7.34 | Binding affinity towards Dopamine receptor D1 in rat striatal tissue by [3H]-SCH... | - |
| No relevant target | Ki | = | 50.0 | nM | 7.3 | Ionization constant for the compound (pKa) | 19643610 |
| D(2) dopamine receptor | Ki | = | 265.0 | nM | 6.58 | Binding affinity towards Dopamine receptor D2 in rat striatal tissue by [3H]spip... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80155-9 | D(1A) dopamine receptor | 1 |
| - | 10.1016/S0960-894X(00)80155-9 | D(2) dopamine receptor | 1 |
| - | 10.1016/S0960-894X(00)80155-9 | Rattus norvegicus | 1 |
| 19643610 | 10.1016/j.bmcl.2009.07.012 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine