Compound Detail
CHEMBL2079610
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Basic Information
| ChEMBL ID | CHEMBL2079610 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFJNHVWTKZUUTR-NAHPKXJFSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
296.4
MW (Da)
3.39
ALogP
3
HBA
1
HBD
36.4
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 2D6 CHEMBL289 | Ki | 5.1 | 4.9133 | 8000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 2D6 | Ki | = | 8000.0 | nM | 5.1 | Inhibition of 1'-hydroxybufuralol formation by human liver microsomes | 8487254 |
| Cytochrome P450 2D6 | Ki | = | 9600.0 | nM | 5.02 | Inhibition of 1'-hydroxybufuralol formation by human liver microsomes | 8487254 |
| Cytochrome P450 2D6 | Ki | = | 24000.0 | nM | 4.62 | Inhibition of 1'-hydroxybufuralol formation by human liver microsomes | 8487254 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8487254 | 10.1021/jm00061a004 | Cytochrome P450 2D6 | 3 |
Data from ChEMBL 36 via Core Engine