Compound Detail
CHEMBL2419769
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Basic Information
| ChEMBL ID | CHEMBL2419769 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLAXELILYCMGLF-RSAXXLAASA-N |
| Parent Compound | CHEMBL3040851 |
| Active Moiety | CHEMBL3040851 |
8
Targets
9
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
3.25
ALogP
6
HBA
1
HBD
62.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 5 meas. best 9.01
Ki 4 meas. best 9.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 9.31 | 9.31 | 0.5 | 1 |
| Alpha-1D adrenergic receptor CHEMBL326 | Kd | 9.01 | 9.01 | 1.0 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 8.72 | 8.72 | 1.9 | 1 |
| Alpha-1A adrenergic receptor CHEMBL319 | Kd | 8.71 | 8.485 | 1.9 | 2 |
| Alpha-1B adrenergic receptor CHEMBL315 | Kd | 8.68 | 8.68 | 2.1 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.59 | 8.59 | 2.6 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 7.54 | 7.54 | 28.8 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Kd | 6.55 | 6.55 | 281.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23902232 | 10.1021/jm400867d | Unchecked | 6 |
| 23902232 | 10.1021/jm400867d | Alpha-1A adrenergic receptor | 3 |
| 23902232 | 10.1021/jm400867d | Alpha-1D adrenergic receptor | 2 |
| 23902232 | 10.1021/jm400867d | Alpha-1B adrenergic receptor | 2 |
| 23902232 | 10.1021/jm400867d | Adrenergic receptor alpha-2 | 1 |
| 23902232 | 10.1021/jm400867d | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine