Compound Detail
CHEMBL42857
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Basic Information
| ChEMBL ID | CHEMBL42857 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GUEHAKSGYHUPRR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
337.5
MW (Da)
4.34
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 4.0 | nM | 8.4 | 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