Compound Detail
CHEMBL5886130
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Basic Information
| ChEMBL ID | CHEMBL5886130 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GPCOZCFGTRWRLE-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
438.9
MW (Da)
3.53
ALogP
5
HBA
2
HBD
66.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 10.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 10.1 | 10.1 | 0.1 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 6.5 | 6.5 | 320.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.07 | 6.07 | 850.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 0.08 | nM | 10.1 | Receptor Binding Assay: 5-HT1A: Radioligand binding was performed using membrane... | - |
| Alpha-1A adrenergic receptor | Ki | = | 320.0 | nM | 6.5 | Radioligand Binding Assay: Alpha1-adrenergic Receptor: Radioligand binding was p... | - |
| D(2) dopamine receptor | Ki | = | 850.0 | nM | 6.07 | Radioligand Binding Assay: D2 Dopamine Receptor:Radioligand binding was performe... | - |
Data from ChEMBL 36 via Core Engine