Compound Detail
CHEMBL29182
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 | CHEMBL29182 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQOHKQXMRPXPAM-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
496.4
MW (Da)
4.78
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.3
EC50 1 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 7.3 | 7.3 | 50.0 | 2 |
| D(3) dopamine receptor CHEMBL234 | EC50 | 7.17 | 7.17 | 68.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.93 | 5.93 | 1173.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 50.0 | nM | 7.3 | Binding affinity at Dopamine D3 receptors in rat striatum by [3H]-spiperone disp... | - |
| D(3) dopamine receptor | Ki | = | 50.12 | nM | 7.3 | Competitive inhibition of [3H]spiperone binding to the human dopamine receptor D... | 9083471 |
| D(3) dopamine receptor | EC50 | = | 68.0 | nM | 7.17 | Stimulation of mitogenesis in Dopamine receptor D3 transfected CHO p-5 cells | - |
| D(2) dopamine receptor | Ki | = | 1173.0 | nM | 5.93 | Binding affinity at Dopamine D2 receptors in rat striatum by [3H]spiperone displ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00231-4 | D(3) dopamine receptor | 3 |
| - | 10.1016/0960-894X(96)00231-4 | D(2) dopamine receptor | 1 |
| 9083471 | 10.1021/jm9605952 | D(3) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine