Compound Detail
CHEMBL21280
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Basic Information
| ChEMBL ID | CHEMBL21280 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IZVVXKITHMHHRG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
348.5
MW (Da)
3.08
ALogP
4
HBA
1
HBD
62.4
PSA (Ų)
0.87
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 7.2 | 7.2 | 63.1 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.6 | 6.6 | 251.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 63.1 | nM | 7.2 | Binding affinity towards human Dopamine receptor D3 expressed in CHO cells by [1... | - |
| D(2) dopamine receptor | Ki | = | 251.19 | nM | 6.6 | Binding affinity towards human Dopamine receptor D2 expressed in CHO cells by [1... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00202-8 | D(3) dopamine receptor | 1 |
| - | 10.1016/0960-894X(96)00202-8 | D(2) dopamine receptor | 1 |
| - | 10.1016/0960-894X(96)00202-8 | Dopamine receptors; D2 & D3 | 1 |
Data from ChEMBL 36 via Core Engine