Compound Detail
CHEMBL66957
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Basic Information
| ChEMBL ID | CHEMBL66957 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GDOWWYCKCLQFKP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
349.5
MW (Da)
3.07
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha adrenergic receptor 1A and 1B CHEMBL2111476 | Ki | 5.51 | 5.51 | 3120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha adrenergic receptor 1A and 1B | Ki | = | 3120.0 | nM | 5.51 | 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