Compound Detail
CHEMBL1744097
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Basic Information
| ChEMBL ID | CHEMBL1744097 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBQSPMUJHNTYIV-BTJKTKAUSA-N |
| Parent Compound | CHEMBL307715 |
| Active Moiety | CHEMBL307715 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
342.5
MW (Da)
4.69
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Kd | 5.3 | 5.3 | 5011.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Kd | = | 5011.87 | nM | 5.3 | Alpha adrenergic receptor activity in rat aorta | 2903931 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2903931 | 10.1021/jm00120a007 | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine