Compound Detail
CHEMBL41749
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Basic Information
| ChEMBL ID | CHEMBL41749 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNWUYMPBSBQTEX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
183.2
MW (Da)
2.49
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 7.8 | 7.8 | 16.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Ki | = | 16.0 | nM | 7.8 | Displacement of [3H]clonidine from adrenergic alpha2 receptor in Sprague-Dawley ... | 17126018 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2738892 | 10.1021/jm00127a027 | Phenylethanolamine N-methyltransferase | 2 |
| 17126018 | 10.1016/j.bmc.2006.11.010 | Adrenergic receptor alpha-2 | 1 |
Data from ChEMBL 36 via Core Engine