Compound Detail
CHEMBL81733
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Basic Information
| ChEMBL ID | CHEMBL81733 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SQGUDQSORCIZRK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
393.4
MW (Da)
1.88
ALogP
6
HBA
0
HBD
62.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.5 | 7.495 | 31.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 31.62 | nM | 7.5 | Inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat fr... | 9873561 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 32.36 | nM | 7.49 | Inhibition of [3H]2-(di-N-propylamino)-8-hydroxytetralin binding to 5-HT1A recep... | 7473558 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873561 | 10.1016/s0960-894x(98)00406-5 | 5-hydroxytryptamine receptor 1A | 5 |
| 7473558 | 10.1021/jm00021a020 | 5-hydroxytryptamine receptor 1A | 1 |
| 7473558 | 10.1021/jm00021a020 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine