Compound Detail
CHEMBL366785
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Basic Information
| ChEMBL ID | CHEMBL366785 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMJJVUYKJWAXGF-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
324.3
MW (Da)
0.53
ALogP
4
HBA
3
HBD
78.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phenylethanolamine N-methyltransferase CHEMBL4617 | Ki | 7.64 | 7.64 | 23.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phenylethanolamine N-methyltransferase | Ki | = | 23.0 | nM | 7.64 | In vitro binding affinity against human phenylethanolamine N-Methyltransferase | 15634007 |
| Phenylethanolamine N-methyltransferase | Ki | = | 23.0 | nM | 7.64 | Binding affinity to human PNMT expressed in Escherichia coli by radiochemical as... | 16942016 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15634007 | 10.1021/jm049368n | Phenylethanolamine N-methyltransferase | 1 |
| 15634007 | 10.1021/jm049368n | Adrenergic receptor alpha-2 | 1 |
| 15634007 | 10.1021/jm049368n | Unchecked | 1 |
| 16942016 | 10.1021/jm060466d | Unchecked | 1 |
| 16942016 | 10.1021/jm060466d | Adrenergic receptor alpha-2 | 1 |
| 16942016 | 10.1021/jm060466d | Phenylethanolamine N-methyltransferase | 1 |
Data from ChEMBL 36 via Core Engine