Compound Detail
CHEMBL41689
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Basic Information
| ChEMBL ID | CHEMBL41689 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNZYOSBKYHUQNJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
181.7
MW (Da)
1.94
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phenylethanolamine N-methyltransferase CHEMBL2331 | Ki | 5.12 | 5.12 | 7500.0 | 1 |
| Phenylethanolamine N-methyltransferase CHEMBL4617 | Ki | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phenylethanolamine N-methyltransferase | Ki | = | 7500.0 | nM | 5.12 | Inhibitory constant against bovine phenylethanolamine N-methyl-transferase | 11412985 |
| Phenylethanolamine N-methyltransferase | Ki | = | 13000.0 | nM | 4.89 | Inhibitory constant against human phenylethanolamine N-methyl-transferase over-e... | 11412985 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11412985 | 10.1016/s0960-894x(01)00245-1 | Phenylethanolamine N-methyltransferase | 2 |
| 11412985 | 10.1016/s0960-894x(01)00245-1 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine