Compound Detail
CHEMBL41487
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Basic Information
| ChEMBL ID | CHEMBL41487 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXNOASUKXWYZMT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
242.1
MW (Da)
1.46
ALogP
2
HBA
2
HBD
32.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phenylethanolamine N-methyltransferase CHEMBL4617 | Ki | 7.92 | 7.92 | 12.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phenylethanolamine N-methyltransferase | Ki | = | 12.0 | nM | 7.92 | Binding affinity against Human phenylethanolamine N-methyl-transferase | 15686930 |
| Adrenergic receptor alpha-2 | Ki | = | 1000.0 | nM | 6.0 | Binding affinity against alpha 2 adrenergic receptor in rat cortex using [3H]clo... | 15686930 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11412985 | 10.1016/s0960-894x(01)00245-1 | Unchecked | 1 |
| 11412985 | 10.1016/s0960-894x(01)00245-1 | Phenylethanolamine N-methyltransferase | 1 |
| 15686930 | 10.1016/j.bmcl.2004.12.013 | Phenylethanolamine N-methyltransferase | 1 |
| 15686930 | 10.1016/j.bmcl.2004.12.013 | Adrenergic receptor alpha-2 | 1 |
| 15686930 | 10.1016/j.bmcl.2004.12.013 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine