Compound Detail
CHEMBL81649
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 | CHEMBL81649 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNUQCGWXPNGORO-OAQYLSRUSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
401.5
MW (Da)
2.16
ALogP
5
HBA
1
HBD
75.9
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL3361 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 5.62 | 5.62 | 2400.0 | 1 |
| D(3) dopamine receptor CHEMBL3138 | Ki | 5.54 | 5.54 | 2900.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 5.25 | 5.25 | 5600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 100.0 | nM | 7.0 | Binding affinity of [3H]spiperone towards Dopamine receptor D4 expressed in cult... | 8691438 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 2400.0 | nM | 5.62 | Binding affinity of [3H]-8-OH-DPAT towards 5-hydroxytryptamine 1A receptor in cl... | 8691438 |
| D(3) dopamine receptor | Ki | = | 2900.0 | nM | 5.54 | Binding affinity of [3H]spiperone towards Dopamine receptor D3 in cloned mammali... | 8691438 |
| D(2) dopamine receptor | Ki | = | 5600.0 | nM | 5.25 | Binding affinity of [3H]U-86170 towards Dopamine receptor D2 in cloned mammalian... | 8691438 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 8691438 | 10.1021/jm960084f | D(1A) dopamine receptor | 1 |
| 8691438 | 10.1021/jm960084f | D(2) dopamine receptor | 1 |
| 8691438 | 10.1021/jm960084f | D(3) dopamine receptor | 1 |
| 8691438 | 10.1021/jm960084f | D(4) dopamine receptor | 1 |
| 8691438 | 10.1021/jm960084f | 5-hydroxytryptamine receptor 1A | 1 |
| 8691438 | 10.1021/jm960084f | Serotonin 2 (5-HT2) receptor | 1 |
| 8691438 | 10.1021/jm960084f | Adrenergic receptor alpha-1 | 1 |
| 8691438 | 10.1021/jm960084f | Adrenergic receptor alpha-2 | 1 |
Data from ChEMBL 36 via Core Engine