Compound Detail
CHEMBL2112363
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Basic Information
| ChEMBL ID | CHEMBL2112363 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TXNYNUGLNPQHPE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
434.5
MW (Da)
0.51
ALogP
10
HBA
1
HBD
92.7
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.94 | 7.94 | 11.5 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 6.49 | 6.49 | 326.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 11.5 | nM | 7.94 | Ability to bind to central serotonin 5-hydroxytryptamine 1A receptor in vitro in... | 15115407 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 326.0 | nM | 6.49 | Ability to bind to central serotonin 5-hydroxytryptamine 2A receptor in vitro in... | 15115407 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15115407 | 10.1021/jm030946u | 5-hydroxytryptamine receptor 1A | 2 |
| 15115407 | 10.1021/jm030946u | 5-hydroxytryptamine receptor 2A | 2 |
| 15115407 | 10.1021/jm030946u | D(2) dopamine receptor | 1 |
| 15115407 | 10.1021/jm030946u | Adrenergic receptor alpha-1 | 1 |
| 15115407 | 10.1021/jm030946u | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine