Compound Detail
CHEMBL2397835
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Basic Information
| ChEMBL ID | CHEMBL2397835 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSQLYAOTVSLUMZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
420.5
MW (Da)
2.98
ALogP
8
HBA
1
HBD
107.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Kd | 7.1 | 7.1 | 79.4 | 1 |
| Unchecked CHEMBL612545 | Kd | 7.03 | 7.03 | 93.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Kd | = | 79.43 | nM | 7.1 | Antagonist activity at alpha1-adrenergic receptor in Wistar rat endothelium denu... | 23683590 |
| Unchecked | Kd | = | 93.33 | nM | 7.03 | Antagonist activity at angiotensin-2 receptor in Wistar rat endothelium denuded ... | 23683590 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23683590 | 10.1016/j.bmcl.2013.04.054 | Unchecked | 1 |
| 23683590 | 10.1016/j.bmcl.2013.04.054 | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine