Compound Detail
CHEMBL398678
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL398678 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KITJLRGIMIMTAS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
155.3
MW (Da)
1.61
ALogP
2
HBA
1
HBD
12.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phenylethanolamine N-methyltransferase CHEMBL4617 | Ki | 5.24 | 5.24 | 5800.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.54 | 4.54 | 29000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phenylethanolamine N-methyltransferase | Ki | = | 5800.0 | nM | 5.24 | Inhibition of human PNMT by radiochemical assay | 18024134 |
| Unchecked | Ki | = | 29000.0 | nM | 4.54 | Displacement of [3H]clonidine from adrenergic alpha-1 receptor in Sprague-Dawley... | 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