Compound Detail
CHEMBL121570
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Basic Information
| ChEMBL ID | CHEMBL121570 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKQGFYVCKLGQHW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
222.3
MW (Da)
2.40
ALogP
3
HBA
1
HBD
24.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phenylethanolamine N-methyltransferase CHEMBL2331 | Ki | 6.24 | 6.24 | 570.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 4.66 | 4.66 | 22000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phenylethanolamine N-methyltransferase | Ki | = | 570.0 | nM | 6.24 | Affinity for bovine Phenylethanolamine N-Methyltransferase (PNMT) | 10479290 |
| Adrenergic receptor alpha-2 | Ki | = | 22000.0 | nM | 4.66 | Compound was tested in vitro for its affinity towards rat Alpha-2 adrenergic rec... | 10479290 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10479290 | 10.1021/jm990045e | Adrenergic receptor alpha-2 | 2 |
| 10479290 | 10.1021/jm990045e | Phenylethanolamine N-methyltransferase | 1 |
| 10479290 | 10.1021/jm990045e | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine