Compound Detail
CHEMBL136627
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Basic Information
| ChEMBL ID | CHEMBL136627 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLNRJCOAQFRNAD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
1.27
ALogP
7
HBA
1
HBD
96.9
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 5.29 | 5.29 | 5080.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | IC50 | = | 5080.0 | nM | 5.29 | Inhibition of Alpha-1 adrenergic receptor in rat cortex membrane | 9986714 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9986714 | 10.1021/jm9805337 | Adrenergic receptor alpha-1 | 1 |
| 9986714 | 10.1021/jm9805337 | Adrenergic receptor alpha-2 | 1 |
| 9986714 | 10.1021/jm9805337 | D(2) dopamine receptor | 1 |
| 9986714 | 10.1021/jm9805337 | 5-hydroxytryptamine receptor 1A | 1 |
| 9986714 | 10.1021/jm9805337 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine