Compound Detail
CHEMBL41120
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Basic Information
| ChEMBL ID | CHEMBL41120 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONJLWYBUUWLSBG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
405.5
MW (Da)
5.36
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.58
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.33 | 7.33 | 47.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 47.2 | nM | 7.33 | In vitro ability to inhibit [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A rec... | 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