Compound Detail
CHEMBL138596
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Basic Information
| ChEMBL ID | CHEMBL138596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKURJQCDILRAJI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
397.5
MW (Da)
1.82
ALogP
6
HBA
0
HBD
62.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.19 | 8.19 | 6.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 6.457 | nM | 8.19 | Inhibition of [3H]2-(di-N-propylamino)-8-hydroxytetralin binding to 5-HT1A recep... | 7473558 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7473558 | 10.1021/jm00021a020 | 5-hydroxytryptamine receptor 1A | 1 |
| 7473558 | 10.1021/jm00021a020 | ADMET | 1 |
| 7473558 | 10.1021/jm00021a020 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine