Compound Detail
CHEMBL12515
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Basic Information
| ChEMBL ID | CHEMBL12515 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKYJURCBISNWGU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
287.4
MW (Da)
2.39
ALogP
4
HBA
0
HBD
30.2
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.91 | 6.91 | 124.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.03 | 6.03 | 924.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 124.0 | nM | 6.91 | Compound was evaluated for its ability to displace [3H]DPAT from 5-HT1A receptor... | 1348089 |
| D(2) dopamine receptor | Ki | = | 924.0 | nM | 6.03 | Compound was evaluated for its ability to displace [3H]raclopride from dopamine ... | 1348089 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1348089 | 10.1021/jm00084a013 | D(2) dopamine receptor | 1 |
| 1348089 | 10.1021/jm00084a013 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine