Compound Detail
CHEMBL180975
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Basic Information
| ChEMBL ID | CHEMBL180975 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JUPPMMQRNBXSGO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
366.5
MW (Da)
4.08
ALogP
3
HBA
3
HBD
57.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 2D6 CHEMBL289 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 2D6 | IC50 | = | 120.0 | nM | 6.92 | Inhibitory activity against recombinant human Cytochrome P450 2D6 (CYP2D6) after... | 15993593 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15993593 | 10.1016/j.bmcl.2005.06.007 | Cytochrome P450 2D6 | 1 |
Data from ChEMBL 36 via Core Engine