Compound Detail
CHEMBL509387
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Basic Information
| ChEMBL ID | CHEMBL509387 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFVXDLZRORZNHX-OCIDDWSYSA-N |
| Parent Compound | CHEMBL251690 |
| Active Moiety | CHEMBL251690 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
3.45
ALogP
4
HBA
1
HBD
41.6
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 5.38 | 5.38 | 4200.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.33 | 5.33 | 4650.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 5.29 | 5.29 | 5100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Ki | = | 4200.0 | nM | 5.38 | Displacement of radioligand from rat alpha2 adrenergic receptor by liquid scinti... | 9182127 |
| Unchecked | Ki | = | 4650.0 | nM | 5.33 | Displacement of radioligand from rat sodium channel batrachotoxin binding site b... | 9182127 |
| Adrenergic receptor alpha-1 | Ki | = | 5100.0 | nM | 5.29 | Displacement of radioligand from rat alpha1 adrenergic receptor by liquid scinti... | 9182127 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9182127 | 10.1021/np960482l | Unchecked | 9 |
| 9182127 | 10.1021/np960482l | 5-hydroxytryptamine receptor 1A | 1 |
| 9182127 | 10.1021/np960482l | 5-hydroxytryptamine receptor 2A | 1 |
| 9182127 | 10.1021/np960482l | 5-hydroxytryptamine receptor 3A | 1 |
| 9182127 | 10.1021/np960482l | D(1A) dopamine receptor | 1 |
| 9182127 | 10.1021/np960482l | D(2) dopamine receptor | 1 |
| 9182127 | 10.1021/np960482l | Histamine H1 receptor | 1 |
| 9182127 | 10.1021/np960482l | Glucocorticoid receptor | 1 |
| 9182127 | 10.1021/np960482l | Adrenergic receptor alpha-1 | 1 |
| 9182127 | 10.1021/np960482l | Adrenergic receptor alpha-2 | 1 |
Data from ChEMBL 36 via Core Engine