Compound Detail
CHEMBL133085
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Basic Information
| ChEMBL ID | CHEMBL133085 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONVPKPUWGYFERX-QPJJXVBHSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
373.2
MW (Da)
3.36
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 8.18 | 8.18 | 6.7 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.97 | 7.04 | 10.8 | 2 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.21 | 6.21 | 619.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 6.69 | nM | 8.18 | Tested for the inhibitory activity against Dopamine D3 receptor in infected Sf9 ... | 7990123 |
| D(2) dopamine receptor | Ki | = | 10.8 | nM | 7.97 | Tested for the inhibitory activity against D2H (high-affinity states) receptor i... | 7990123 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 619.0 | nM | 6.21 | Tested for the inhibitory activity against 5-hydroxytryptamine 1A receptor in ra... | 7990123 |
| D(2) dopamine receptor | Ki | = | 784.0 | nM | 6.11 | Tested for the inhibitory activity against Dopamine D2 receptor in infected Sf9 ... | 7990123 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7990123 | 10.1021/jm00050a021 | D(2) dopamine receptor | 2 |
| 7990123 | 10.1021/jm00050a021 | D(3) dopamine receptor | 1 |
| 7990123 | 10.1021/jm00050a021 | 5-hydroxytryptamine receptor 1A | 1 |
| 7990123 | 10.1021/jm00050a021 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine