Compound Detail
CHEMBL81675
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 | CHEMBL81675 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPYVGSUSOOZONM-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
205.3
MW (Da)
2.59
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 7.28 | 7.28 | 52.0 | 1 |
| D(3) dopamine receptor CHEMBL3138 | Ki | 7.28 | 7.28 | 52.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.17 | 7.17 | 68.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 7.17 | 7.17 | 68.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.7 | 6.7 | 201.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 52.0 | nM | 7.28 | Binding affinity against [3H]spiperone binding to Dopamine receptor D3 expressed... | - |
| D(3) dopamine receptor | Ki | = | 52.0 | nM | 7.28 | Binding affinity to human dopamine D3 receptor | 29631959 |
| D(2) dopamine receptor | Ki | = | 68.0 | nM | 7.17 | Binding affinity against [3H]U-86170 binding to Dopamine receptor D2 expressed i... | - |
| D(2) dopamine receptor | Ki | = | 68.0 | nM | 7.17 | Binding affinity to human dopamine D2 receptor | 29631959 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 201.0 | nM | 6.7 | Binding affinity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A recepto... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(96)00618-X | Rattus norvegicus | 7 |
| - | 10.1016/S0960-894X(96)00618-X | 5-hydroxytryptamine receptor 1A | 1 |
| - | 10.1016/S0960-894X(96)00618-X | Serotonin 2 (5-HT2) receptor | 1 |
| - | 10.1016/S0960-894X(96)00618-X | D(2) dopamine receptor | 1 |
| - | 10.1016/S0960-894X(96)00618-X | D(3) dopamine receptor | 1 |
| - | 10.1016/S0960-894X(96)00618-X | No relevant target | 1 |
| 29631959 | 10.1016/j.bmcl.2018.03.084 | D(2) dopamine receptor | 1 |
| 29631959 | 10.1016/j.bmcl.2018.03.084 | D(3) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine