Compound Detail
CHEMBL287134
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Basic Information
| ChEMBL ID | CHEMBL287134 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLAWPJROLJRPAW-CHWSQXEVSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
229.3
MW (Da)
2.68
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 9.52 | 9.52 | 0.3 | 3 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.82 | 6.82 | 153.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.82 | 6.82 | 153.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 0.3 | nM | 9.52 | Compound was evaluated for the binding affinity against [3H]8-OH-DPAT-labeled 5-... | 8097537 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 0.3 | nM | 9.52 | Binding affinity against 5-hydroxytryptamine 1A receptor from bovine hippocampus... | 8496900 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 0.3 | nM | 9.52 | Tested for activity against 5-hydroxytryptamine 1A receptor from bovine hippocam... | 7731016 |
| D(2) dopamine receptor | Ki | = | 153.0 | nM | 6.82 | Compound was evaluated for the binding affinity against [3H]U-86,170-labeled dop... | 8097537 |
| D(2) dopamine receptor | Ki | = | 153.0 | nM | 6.82 | Compound was tested for agonistic activity against D2 receptor from cloned CHO c... | 8496900 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8097537 | 10.1021/jm00060a014 | Mus musculus | 12 |
| 8097537 | 10.1021/jm00060a014 | D(2) dopamine receptor | 2 |
| 8097537 | 10.1021/jm00060a014 | Rattus norvegicus | 2 |
| 8496900 | 10.1021/jm00062a001 | D(2) dopamine receptor | 2 |
| 8097537 | 10.1021/jm00060a014 | 5-hydroxytryptamine receptor 1A | 1 |
| 8496900 | 10.1021/jm00062a001 | 5-hydroxytryptamine receptor 1A | 1 |
| 7731016 | 10.1021/jm00008a008 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine