Compound Detail
CHEMBL21967
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL21967 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGEAJJAWRXRQLO-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
412.6
MW (Da)
4.51
ALogP
4
HBA
1
HBD
62.4
PSA (Ų)
0.56
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 9.5 | 9.5 | 0.3 | 2 |
| D(2) dopamine receptor CHEMBL217 | Ki | 9.1 | 9.1 | 0.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 0.3162 | nM | 9.5 | Binding affinity, displacement of [125I]iodosulpiride from human Dopamine recept... | - |
| D(3) dopamine receptor | Ki | = | 0.3162 | nM | 9.5 | Binding affinity towards human Dopamine receptor D3 expressed in CHO cells by [1... | - |
| D(2) dopamine receptor | Ki | = | 0.7943 | nM | 9.1 | Binding affinity, displacement of [125I]iodosulpiride from human Dopamine recept... | - |
| D(2) dopamine receptor | Ki | = | 0.7943 | nM | 9.1 | Binding affinity towards human Dopamine receptor D2 expressed in CHO cells by [1... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(96)00621-X | D(3) dopamine receptor | 1 |
| - | 10.1016/S0960-894X(96)00621-X | D(2) dopamine receptor | 1 |
| - | 10.1016/S0960-894X(96)00621-X | Dopamine receptors; D2 & D3 | 1 |
| - | 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