Compound Detail
CHEMBL188641
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Basic Information
| ChEMBL ID | CHEMBL188641 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNGZKLFCPYJUAT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
2
Known Names
Molecular Properties
344.9
MW (Da)
4.87
ALogP
3
HBA
1
HBD
30.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 2D6 CHEMBL289 | IC50 | 5.46 | 4.805 | 3500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 2D6 | IC50 | = | 3500.0 | nM | 5.46 | Inhibitory concentration against cytochrome P450 2D6 | 15481972 |
| Cytochrome P450 2D6 | IC50 | = | 71000.0 | nM | 4.15 | Inhibitory concentration against cytochrome P450 2D6 | 15481972 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15481972 | 10.1021/jm049934e | Cytochrome P450 2D6 | 2 |
Data from ChEMBL 36 via Core Engine