Compound Detail
CHEMBL18707
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Basic Information
| ChEMBL ID | CHEMBL18707 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTKNITUMWGBQHP-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
199.3
MW (Da)
2.59
ALogP
2
HBA
2
HBD
46.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.1
Ki 1 meas. best 5.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phenylethanolamine N-methyltransferase CHEMBL2331 | Ki | 5.45 | 5.45 | 3560.0 | 1 |
| Phenylethanolamine N-methyltransferase CHEMBL2331 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phenylethanolamine N-methyltransferase | Ki | = | 3560.0 | nM | 5.45 | Tested for inhibitory activity against bovine adrenal norepinephrine N-methyl-tr... | 7143367 |
| Phenylethanolamine N-methyltransferase | IC50 | = | 8000.0 | nM | 5.1 | Inhibitory activity against phenylethanolamine N-methyl-transferase | 7205880 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7143367 | 10.1021/jm00352a032 | Phenylethanolamine N-methyltransferase | 2 |
| 7143367 | 10.1021/jm00352a032 | ADMET | 2 |
| 7205880 | 10.1021/jm00133a003 | Phenylethanolamine N-methyltransferase | 1 |
Data from ChEMBL 36 via Core Engine