Compound Detail
CHEMBL146188
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Basic Information
| ChEMBL ID | CHEMBL146188 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQSAGIBNZOOQQL-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
167.6
MW (Da)
1.99
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.7
Ki 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phenylethanolamine N-methyltransferase CHEMBL4617 | Ki | 7.52 | 7.52 | 30.0 | 1 |
| Phenylethanolamine N-methyltransferase CHEMBL4617 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phenylethanolamine N-methyltransferase | Ki | = | 30.0 | nM | 7.52 | Dissociation constant(Ki) of compound was determined to measure PNMT-inhibitory ... | 7381849 |
| Phenylethanolamine N-methyltransferase | IC50 | = | 200.0 | nM | 6.7 | In vitro inhibitory potency was measured against phenylethanolamine N-methyl-tra... | 7381849 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7381849 | 10.1021/jm00179a007 | Phenylethanolamine N-methyltransferase | 5 |
| 7381849 | 10.1021/jm00179a007 | Unchecked | 3 |
| 7381849 | 10.1021/jm00179a007 | Mus musculus | 2 |
| 7381849 | 10.1021/jm00179a007 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine