Compound Detail
CHEMBL2397829
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Basic Information
| ChEMBL ID | CHEMBL2397829 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WUPQGXNECGOOHF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
368.4
MW (Da)
2.63
ALogP
8
HBA
2
HBD
108.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 10.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 10.64 | 10.64 | 0.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Kd | 6.86 | 6.86 | 138.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 0.02291 | nM | 10.64 | Antagonist activity at angiotensin-2 receptor in Wistar rat endothelium denuded ... | 23683590 |
| Adrenergic receptor alpha-1 | Kd | = | 138.04 | nM | 6.86 | Antagonist activity at alpha1-adrenergic receptor in Wistar rat endothelium denu... | 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