Compound Detail
CHEMBL5742721
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Basic Information
| ChEMBL ID | CHEMBL5742721 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTBXTDAXQSIVGY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
444.3
MW (Da)
4.14
ALogP
4
HBA
1
HBD
54.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 9.7 | 9.7 | 0.2 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 6.75 | 6.75 | 180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 0.2 | nM | 9.7 | Receptor Binding Assay: 5-HT1A: Radioligand binding was performed using membrane... | - |
| Alpha-1A adrenergic receptor | Ki | = | 180.0 | nM | 6.75 | Radioligand Binding Assay: Alpha1-adrenergic Receptor: Radioligand binding was p... | - |
Data from ChEMBL 36 via Core Engine