Compound Detail
CHEMBL28288
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Basic Information
| ChEMBL ID | CHEMBL28288 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RRTPAKXKUVVEEB-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
276.4
MW (Da)
2.38
ALogP
4
HBA
0
HBD
24.9
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.92 | 7.92 | 12.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 12.02 | nM | 7.92 | Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) r... | 8568799 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 12.0 | nM | 7.92 | Displacement of radioligand [3H]2-(di-N-propylamino)-8-hydroxytetralin from 5-hy... | 8410989 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 12.0 | nM | 7.92 | Binding affinity to displace [3H]2-(di-N-propylamino)-8-hydroxy-tetralin from 5-... | 8064803 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8410989 | 10.1021/jm00071a006 | ADMET | 3 |
| 8568799 | 10.1021/jm950410b | 5-hydroxytryptamine receptor 1A | 1 |
| 8410989 | 10.1021/jm00071a006 | 5-hydroxytryptamine receptor 1A | 1 |
| 8064803 | 10.1021/jm00043a015 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine