Compound Detail
CHEMBL11862
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Basic Information
| ChEMBL ID | CHEMBL11862 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MBFUSGLXKQWVDW-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
165.2
MW (Da)
0.74
ALogP
3
HBA
3
HBD
52.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phenylethanolamine N-methyltransferase CHEMBL2331 | Ki | 5.24 | 5.24 | 5700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phenylethanolamine N-methyltransferase | Ki | = | 5700.0 | nM | 5.24 | In vitro inhibition of bovine phenylethylamine N-methyl-transferase (PNMT) using... | 3681890 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37054761 | 10.1016/j.bmcl.2023.129286 | Catechol O-methyltransferase | 2 |
| 3681890 | 10.1021/jm00395a006 | Phenylethanolamine N-methyltransferase | 1 |
| 6127411 | 10.1021/jm00351a015 | GABA-A receptor; anion channel | 1 |
| 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 |
| 37054761 | 10.1016/j.bmcl.2023.129286 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine