Compound Detail
CHEMBL541538
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Basic Information
| ChEMBL ID | CHEMBL541538 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SQXYPUMWBWUIJU-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1190743 |
| Active Moiety | CHEMBL1190743 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
191.3
MW (Da)
1.34
ALogP
4
HBA
1
HBD
37.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phenylethanolamine N-methyltransferase CHEMBL2331 | Ki | 8.1 | 8.1 | 8.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phenylethanolamine N-methyltransferase | Ki | = | 8.0 | nM | 8.1 | Binding affinity for phenylethanolamine N-methyl-transferase was determined. | 2738892 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2738892 | 10.1021/jm00127a027 | Phenylethanolamine N-methyltransferase | 3 |
| 2738892 | 10.1021/jm00127a027 | Adrenergic receptor alpha-1 | 2 |
| 2738892 | 10.1021/jm00127a027 | Mus musculus | 2 |
| 2738892 | 10.1021/jm00127a027 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine