Compound Detail
CHEMBL36909
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Basic Information
| ChEMBL ID | CHEMBL36909 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYMUUJOFYVSRBW-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
334.4
MW (Da)
2.15
ALogP
3
HBA
2
HBD
58.2
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phenylethanolamine N-methyltransferase CHEMBL2331 | Ki | 5.19 | 5.19 | 6500.0 | 2 |
| Phenylethanolamine N-methyltransferase CHEMBL4617 | Ki | 4.58 | 4.395 | 26000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phenylethanolamine N-methyltransferase | Ki | = | 6500.0 | nM | 5.19 | Affinity for bovine Phenylethanolamine N-Methyltransferase | 10479290 |
| Phenylethanolamine N-methyltransferase | Ki | = | 6500.0 | nM | 5.19 | Inhibitory constant against bovine phenylethanolamine N-methyl-transferase | 11412985 |
| Phenylethanolamine N-methyltransferase | Ki | = | 26000.0 | nM | 4.58 | Inhibition of [3H]methyl-AdoMet binding to human phenylethanolamine N-methyl-tra... | 15317460 |
| Phenylethanolamine N-methyltransferase | Ki | = | 62000.0 | nM | 4.21 | Inhibitory constant against human phenylethanolamine N-methyl-transferase over-e... | 11412985 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10479290 | 10.1021/jm990045e | Adrenergic receptor alpha-2 | 2 |
| 11412985 | 10.1016/s0960-894x(01)00245-1 | Phenylethanolamine N-methyltransferase | 2 |
| 10479290 | 10.1021/jm990045e | Phenylethanolamine N-methyltransferase | 1 |
| 10479290 | 10.1021/jm990045e | No relevant target | 1 |
| 11412985 | 10.1016/s0960-894x(01)00245-1 | Unchecked | 1 |
| 15317460 | 10.1021/jm0400653 | Phenylethanolamine N-methyltransferase | 1 |
| 15317460 | 10.1021/jm0400653 | Adrenergic receptor alpha-2 | 1 |
| 15317460 | 10.1021/jm0400653 | Unchecked | 1 |
| 15317460 | 10.1021/jm0400653 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine