Compound Detail
CHEMBL71502
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Basic Information
| ChEMBL ID | CHEMBL71502 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PEMDADNXFPDJPI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
509.5
MW (Da)
5.48
ALogP
4
HBA
2
HBD
61.6
PSA (Ų)
0.26
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL3138 | Ki | 8.46 | 8.46 | 3.5 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 7.1 | 7.1 | 79.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 3.5 | nM | 8.46 | Binding affinity towards rat Dopamine receptor D3 in Sf9 cells expressing in rec... | 12798330 |
| D(2) dopamine receptor | Ki | = | 79.3 | nM | 7.1 | Binding affinity towards rat Dopamine receptor D2 in Sf9 cells expressing in rec... | 12798330 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12798330 | 10.1016/s0960-894x(03)00389-5 | D(3) dopamine receptor | 1 |
| 12798330 | 10.1016/s0960-894x(03)00389-5 | D(2) dopamine receptor | 1 |
| 12798330 | 10.1016/s0960-894x(03)00389-5 | Dopamine receptor D2 and D3 | 1 |
| 12798330 | 10.1016/s0960-894x(03)00389-5 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine