Compound Detail
CHEMBL294562
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL294562 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDSUOIGUQHWCCU-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
177.2
MW (Da)
1.35
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 5.55 | 5.55 | 2800.0 | 3 |
| Phenylethanolamine N-methyltransferase CHEMBL2331 | Ki | 5.04 | 5.04 | 9200.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Ki | = | 2800.0 | nM | 5.55 | Compound was tested in vitro for its affinity towards rat Alpha-2 adrenergic rec... | 10479290 |
| Adrenergic receptor alpha-2 | Ki | = | 2800.0 | nM | 5.55 | Displacement of [3H]clonidine from Alpha-2 adrenergic receptor of rat cortical m... | 10354406 |
| Adrenergic receptor alpha-2 | Ki | = | 2800.0 | nM | 5.55 | Compound was tested in vitro for binding affinity against Alpha-2 adrenergic rec... | 10464018 |
| Phenylethanolamine N-methyltransferase | Ki | = | 9200.0 | nM | 5.04 | Affinity for bovine Phenylethanolamine N-Methyltransferase | 10479290 |
| Phenylethanolamine N-methyltransferase | Ki | = | 9200.0 | nM | 5.04 | Inhibition of bovine adrenal Phenylethanolamine N-Methyltransferase | 10354406 |
| Phenylethanolamine N-methyltransferase | Ki | = | 9200.0 | nM | 5.04 | Inhibition of PNMT (Phenylethanolamine N-Methyltransferase) in vitro | 10464018 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10479290 | 10.1021/jm990045e | Adrenergic receptor alpha-2 | 2 |
| 10479290 | 10.1021/jm990045e | Phenylethanolamine N-methyltransferase | 1 |
| 10354406 | 10.1021/jm9807252 | Phenylethanolamine N-methyltransferase | 1 |
| 10354406 | 10.1021/jm9807252 | Adrenergic receptor alpha-2 | 1 |
| 10354406 | 10.1021/jm9807252 | Unchecked | 1 |
| 10464018 | 10.1021/jm980734a | Phenylethanolamine N-methyltransferase | 1 |
| 10464018 | 10.1021/jm980734a | Adrenergic receptor alpha-2 | 1 |
| 10464018 | 10.1021/jm980734a | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine