Compound Detail
CHEMBL139791
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Basic Information
| ChEMBL ID | CHEMBL139791 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BDAGIAXQQBRORQ-NSHDSACASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
158.2
MW (Da)
3.05
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phenylethanolamine N-methyltransferase CHEMBL2331 | Ki | 4.28 | 4.28 | 52000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phenylethanolamine N-methyltransferase | Ki | = | 52000.0 | nM | 4.28 | Inhibition of phenylethanolamine N-methyl-transferase (PNMT) | 3339613 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3339613 | 10.1021/jm00397a029 | Phenylethanolamine N-methyltransferase | 1 |
Data from ChEMBL 36 via Core Engine