Compound Detail
CHEMBL213339
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Basic Information
| ChEMBL ID | CHEMBL213339 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PLAGCAJUHTWGBP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
325.3
MW (Da)
2.40
ALogP
3
HBA
1
HBD
46.2
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phenylethanolamine N-methyltransferase CHEMBL4617 | Ki | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phenylethanolamine N-methyltransferase | Ki | = | 1300.0 | nM | 5.89 | Binding affinity to human PNMT expressed in Escherichia coli by radiochemical as... | 16942016 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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