Compound Detail
CHEMBL445928
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Basic Information
| ChEMBL ID | CHEMBL445928 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDUOEIRZGDBJQQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
472.7
MW (Da)
3.61
ALogP
5
HBA
2
HBD
81.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.25 | 7.25 | 56.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 56.0 | nM | 7.25 | Displacement of [3H]8-OH-DPAT from human 5HT1A receptor in HEK293 cells | 16722631 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16722631 | 10.1021/jm0508641 | 5-hydroxytryptamine receptor 1A | 1 |
| 16722631 | 10.1021/jm0508641 | Adrenergic receptor alpha-1 | 1 |
| 16722631 | 10.1021/jm0508641 | Alpha-2A adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine