Compound Detail
CHEMBL1204093
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Basic Information
| ChEMBL ID | CHEMBL1204093 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQKJKPGSSUYBQU-UHFFFAOYSA-N |
| Parent Compound | CHEMBL29154 |
| Active Moiety | CHEMBL29154 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
447.6
MW (Da)
2.82
ALogP
5
HBA
0
HBD
53.1
PSA (Ų)
0.37
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.89 | 8.89 | 1.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 1.3 | nM | 8.89 | In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor ... | 2898533 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2898533 | 10.1021/jm00402a023 | 5-hydroxytryptamine receptor 1A | 2 |
| 2898533 | 10.1021/jm00402a023 | D(2) dopamine receptor | 1 |
| 2898533 | 10.1021/jm00402a023 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine