Compound Detail
CHEMBL42993
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Basic Information
| ChEMBL ID | CHEMBL42993 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KEQNIHXKRPJYPV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
505.4
MW (Da)
3.79
ALogP
4
HBA
0
HBD
36.0
PSA (Ų)
0.56
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.6 | 8.6 | 2.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 2.54 | nM | 8.6 | In vitro binding affinity for 5-hydroxytryptamine 1A receptor in rat hippocampal... | 9457239 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 2.54 | nM | 8.6 | In vitro binding affinity for 5-hydroxytryptamine 1A receptor in rat hippocampal... | 9457239 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9457239 | 10.1021/jm970296s | Rattus norvegicus | 41 |
| 9457239 | 10.1021/jm970296s | ADMET | 3 |
| 9457239 | 10.1021/jm970296s | 5-hydroxytryptamine receptor 1A | 2 |
| 9457239 | 10.1021/jm970296s | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine