Compound Detail
CHEMBL11065
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Basic Information
| ChEMBL ID | CHEMBL11065 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYVLYWKEJHHXOH-JSGCOSHPSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
231.3
MW (Da)
2.59
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.3
Ki 1 meas. best 6.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Kd | 6.3 | 6.3 | 501.2 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.04 | 6.04 | 917.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Kd | = | 501.19 | nM | 6.3 | Binding affinity to 5HT1A receptor | 19754201 |
| D(2) dopamine receptor | Ki | = | 917.0 | nM | 6.04 | Binding affinity against [3H]U-86,170-labeled dopamine receptor D2 in cloned CHO... | 8097538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8097538 | 10.1021/jm00060a015 | Mus musculus | 12 |
| 8097538 | 10.1021/jm00060a015 | Rattus norvegicus | 4 |
| 8097538 | 10.1021/jm00060a015 | D(2) dopamine receptor | 3 |
| 8097538 | 10.1021/jm00060a015 | 5-hydroxytryptamine receptor 1A | 1 |
| 19754201 | 10.1021/jm901096y | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine