Compound Detail
CHEMBL286497
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 | CHEMBL286497 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UVSIFVBCHJEYJP-UHFFFAOYSA-N |
3
Targets
8
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
322.8
MW (Da)
2.79
ALogP
3
HBA
2
HBD
58.2
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 8 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phenylethanolamine N-methyltransferase CHEMBL4617 | Ki | 8.89 | 7.785 | 1.3 | 2 |
| Phenylethanolamine N-methyltransferase CHEMBL2331 | Ki | 5.58 | 5.58 | 2600.0 | 2 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 5.2 | 5.2 | 6300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phenylethanolamine N-methyltransferase | Ki | = | 1.3 | nM | 8.89 | Inhibition of human PNMT K57A mutant | 17845018 |
| Phenylethanolamine N-methyltransferase | Ki | = | 210.0 | nM | 6.68 | Inhibition of wild type human PNMT | 17845018 |
| Phenylethanolamine N-methyltransferase | Ki | = | 2600.0 | nM | 5.58 | Inhibition of Phenylethanolamine N-methyl-transferase (PNMT) | 9406590 |
| Phenylethanolamine N-methyltransferase | Ki | = | 2600.0 | nM | 5.58 | In vitro inhibitory activity against bovine adrenal phenylethanolamine N-methyl-... | 9888838 |
| Adrenergic receptor alpha-2 | Ki | = | 6300.0 | nM | 5.2 | Inhibition of [3H]clonidine binding to Alpha-2 adrenergic receptor | 9406590 |
| Adrenergic receptor alpha-2 | Ki | = | 6300.0 | nM | 5.2 | In vitro inhibitory activity against Alpha-2 adrenergic receptor using [3H]cloni... | 9888838 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17845018 | 10.1021/jm0703385 | Phenylethanolamine N-methyltransferase | 2 |
| 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 |
| 9406590 | 10.1021/jm960235e | No relevant target | 1 |
| 9406590 | 10.1021/jm960235e | Phenylethanolamine N-methyltransferase | 1 |
| 9406590 | 10.1021/jm960235e | Adrenergic receptor alpha-2 | 1 |
| 9406590 | 10.1021/jm960235e | Unchecked | 1 |
| 9888838 | 10.1021/jm980429p | Phenylethanolamine N-methyltransferase | 1 |
| 9888838 | 10.1021/jm980429p | Adrenergic receptor alpha-2 | 1 |
| 9888838 | 10.1021/jm980429p | Unchecked | 1 |
| 17845018 | 10.1021/jm0703385 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine