Compound Detail
CHEMBL253219
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Basic Information
| ChEMBL ID | CHEMBL253219 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTXTUPIYZQFLBO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
286.1
MW (Da)
3.09
ALogP
2
HBA
1
HBD
12.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phenylethanolamine N-methyltransferase CHEMBL4617 | Ki | 4.68 | 4.68 | 21000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phenylethanolamine N-methyltransferase | Ki | = | 21000.0 | nM | 4.68 | Inhibition of human PNMT by radiochemical assay | 18024134 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18024134 | 10.1016/j.bmc.2007.08.066 | Unchecked | 2 |
| 18024134 | 10.1016/j.bmc.2007.08.066 | Phenylethanolamine N-methyltransferase | 1 |
Data from ChEMBL 36 via Core Engine