Compound Detail
CHEMBL302075
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Basic Information
| ChEMBL ID | CHEMBL302075 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AOSAPZYJOHCROI-SJLPKXTDSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
361.3
MW (Da)
4.92
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.03 | 7.03 | 93.0 | 1 |
| Alpha adrenergic receptor 1A and 1B CHEMBL2111476 | Ki | 6.49 | 6.49 | 322.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 5.0 | nM | 8.3 | Binding affinity at human Dopamine receptor D4 by [3H]- YM 09151 displacement. | 10999484 |
| D(2) dopamine receptor | Ki | = | 93.0 | nM | 7.03 | Binding affinity at human Dopamine receptor D2 by [3H]- YM 09151 displacement. | 10999484 |
| Alpha adrenergic receptor 1A and 1B | Ki | = | 322.0 | nM | 6.49 | Binding affinity at Alpha-1 adrenergic receptor in rat brain homogenates by [3H]... | 10999484 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10999484 | 10.1016/s0960-894x(00)00421-2 | D(2) dopamine receptor | 1 |
| 10999484 | 10.1016/s0960-894x(00)00421-2 | D(4) dopamine receptor | 1 |
| 10999484 | 10.1016/s0960-894x(00)00421-2 | Alpha adrenergic receptor 1A and 1B | 1 |
Data from ChEMBL 36 via Core Engine