Compound Detail
CHEMBL200563
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Basic Information
| ChEMBL ID | CHEMBL200563 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XAVWSCQIGCZNCL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
254.2
MW (Da)
3.12
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2095158 | Ki | 5.41 | 5.41 | 3900.0 | 1 |
| Phenylethanolamine N-methyltransferase CHEMBL4617 | Ki | 5.36 | 5.36 | 4400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Ki | = | 3900.0 | nM | 5.41 | Displacement of [3H]clonidine from Adrenergic alpha-2 receptor | 16169723 |
| Phenylethanolamine N-methyltransferase | Ki | = | 4400.0 | nM | 5.36 | Inhibitory activity against human PNMT | 16169723 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16169723 | 10.1016/j.bmcl.2005.08.033 | Phenylethanolamine N-methyltransferase | 1 |
| 16169723 | 10.1016/j.bmcl.2005.08.033 | Adrenergic receptor alpha-2 | 1 |
Data from ChEMBL 36 via Core Engine