Compound Detail
CHEMBL342957
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Basic Information
| ChEMBL ID | CHEMBL342957 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYNFMAOUMAKLOM-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
232.1
MW (Da)
2.00
ALogP
2
HBA
2
HBD
32.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phenylethanolamine N-methyltransferase CHEMBL2331 | Ki | 6.42 | 6.42 | 380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phenylethanolamine N-methyltransferase | Ki | = | 380.0 | nM | 6.42 | In vitro inhibitory activity measured against bovine adrenal phenylethanolamine ... | 3351861 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10091706 | 10.1016/s0960-894x(99)00022-0 | Phenylethanolamine N-methyltransferase | 1 |
| 10091706 | 10.1016/s0960-894x(99)00022-0 | Adrenergic receptor alpha-2 | 1 |
| 10091706 | 10.1016/s0960-894x(99)00022-0 | Unchecked | 1 |
| 3351861 | 10.1021/jm00399a024 | Phenylethanolamine N-methyltransferase | 1 |
Data from ChEMBL 36 via Core Engine