Compound Detail
CHEMBL60724
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Basic Information
| ChEMBL ID | CHEMBL60724 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFMNKDRNEZZRBW-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
176.2
MW (Da)
0.19
ALogP
2
HBA
2
HBD
55.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 4.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phenylethanolamine N-methyltransferase CHEMBL2331 | Ki | 4.39 | 4.39 | 40500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phenylethanolamine N-methyltransferase | Ki | = | 41000.0 | nM | 4.39 | Inhibition of bovine adrenal Phenylethanolamine N-Methyltransferase | 10354406 |
| Phenylethanolamine N-methyltransferase | Ki | = | 40500.0 | nM | 4.39 | In vitro inhibitory activity measured against bovine adrenal phenylethanolamine ... | 3351861 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33147410 | 10.1021/acs.jmedchem.0c01475 | Phenylethanolamine N-methyltransferase | 3 |
| 10354406 | 10.1021/jm9807252 | Phenylethanolamine N-methyltransferase | 1 |
| 10354406 | 10.1021/jm9807252 | Adrenergic receptor alpha-2 | 1 |
| 3351861 | 10.1021/jm00399a024 | Phenylethanolamine N-methyltransferase | 1 |
| 33147410 | 10.1021/acs.jmedchem.0c01475 | Alpha-2A adrenergic receptor | 1 |
| 33147410 | 10.1021/acs.jmedchem.0c01475 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine