Compound Detail
CHEMBL38580
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 | CHEMBL38580 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PYRDKFKAOMQLLU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
299.4
MW (Da)
4.37
ALogP
3
HBA
0
HBD
25.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.24 | 8.24 | 5.7 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.32 | 7.32 | 47.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 5.7 | nM | 8.24 | In vitro ability to inhibit [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A rec... | 10386940 |
| D(2) dopamine receptor | Ki | = | 47.5 | nM | 7.32 | In vitro ability to inhibit [3H]raclopride binding to cloned human D2A receptors... | 10386940 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10386940 | 10.1016/s0960-894x(99)00232-2 | 5-hydroxytryptamine receptor 1A | 1 |
| 10386940 | 10.1016/s0960-894x(99)00232-2 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine