Compound Detail
CHEMBL106413
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Basic Information
| ChEMBL ID | CHEMBL106413 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BOXCVCJOJXRNFC-SNVBAGLBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
250.3
MW (Da)
0.23
ALogP
5
HBA
2
HBD
54.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.23 | 7.23 | 59.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 59.0 | nM | 7.23 | Binding affinity was evaluated by determining in vitro displacement of [3H]8-OH-... | 9022796 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9022796 | 10.1021/jm960496o | 5-hydroxytryptamine receptor 1A | 1 |
| 9022796 | 10.1021/jm960496o | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine