Compound Detail
CHEMBL43021
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Basic Information
| ChEMBL ID | CHEMBL43021 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WOWGEBWXJOUBNT-UHFFFAOYSA-N |
2
Targets
8
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
241.3
MW (Da)
0.10
ALogP
4
HBA
2
HBD
66.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 8 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phenylethanolamine N-methyltransferase CHEMBL2331 | Ki | 6.19 | 6.19 | 640.0 | 4 |
| Phenylethanolamine N-methyltransferase CHEMBL4617 | Ki | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phenylethanolamine N-methyltransferase | Ki | = | 640.0 | nM | 6.19 | Affinity for bovine Phenylethanolamine N-Methyltransferase | 10479290 |
| Phenylethanolamine N-methyltransferase | Ki | = | 640.0 | nM | 6.19 | Inhibition of bovine adrenal Phenylethanolamine N-Methyltransferase | 10354406 |
| Phenylethanolamine N-methyltransferase | Ki | = | 640.0 | nM | 6.19 | Inhibition of PNMT (Phenylethanolamine N-Methyltransferase) in vitro | 10464018 |
| Phenylethanolamine N-methyltransferase | Ki | = | 640.0 | nM | 6.19 | Inhibitory constant against bovine phenylethanolamine N-methyl-transferase | 11412985 |
| Phenylethanolamine N-methyltransferase | Ki | = | 2000.0 | nM | 5.7 | 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 |
| 10479290 | 10.1021/jm990045e | Bos taurus | 1 |
| 10354406 | 10.1021/jm9807252 | Phenylethanolamine N-methyltransferase | 1 |
| 10354406 | 10.1021/jm9807252 | Adrenergic receptor alpha-2 | 1 |
| 10354406 | 10.1021/jm9807252 | Unchecked | 1 |
| 10464018 | 10.1021/jm980734a | Phenylethanolamine N-methyltransferase | 1 |
| 10464018 | 10.1021/jm980734a | Adrenergic receptor alpha-2 | 1 |
| 10464018 | 10.1021/jm980734a | Unchecked | 1 |
| 11412985 | 10.1016/s0960-894x(01)00245-1 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine