Compound Detail
CHEMBL273939
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Basic Information
| ChEMBL ID | CHEMBL273939 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTNGWXICCHJHKA-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
191.2
MW (Da)
0.87
ALogP
3
HBA
1
HBD
38.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 4.96 | 4.96 | 11000.0 | 1 |
| Phenylethanolamine N-methyltransferase CHEMBL2331 | Ki | 4.16 | 4.16 | 69500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Ki | = | 11000.0 | nM | 4.96 | Displacement of [3H]clonidine from Alpha-2 adrenergic receptor of rat cortical m... | 10354406 |
| Phenylethanolamine N-methyltransferase | Ki | = | 70000.0 | nM | 4.16 | Inhibition of bovine adrenal Phenylethanolamine N-Methyltransferase | 10354406 |
| Phenylethanolamine N-methyltransferase | Ki | = | 69500.0 | nM | 4.16 | In vitro inhibitory activity measured against bovine adrenal phenylethanolamine ... | 3351861 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6127411 | 10.1021/jm00351a015 | GABA-A receptor; anion channel | 1 |
| 10354406 | 10.1021/jm9807252 | Phenylethanolamine N-methyltransferase | 1 |
| 10354406 | 10.1021/jm9807252 | Adrenergic receptor alpha-2 | 1 |
| 3351861 | 10.1021/jm00399a024 | Phenylethanolamine N-methyltransferase | 1 |
| 6325688 | 10.1021/jm00371a002 | GABA-A receptor; anion channel | 1 |
Data from ChEMBL 36 via Core Engine