Compound Detail
CHEMBL225481
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Basic Information
| ChEMBL ID | CHEMBL225481 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDFXYZHYSUTYPW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
4.55
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 2C19 CHEMBL3622 | Ki | 7.48 | 7.48 | 33.0 | 1 |
| Cytochrome P450 2C9 CHEMBL3397 | Ki | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 2C19 | Ki | = | 33.0 | nM | 7.48 | Inhibition of human CYP2C19 | 15615526 |
| Cytochrome P450 2C9 | Ki | = | 40.0 | nM | 7.4 | Inhibition of human CYP2C9 | 15615526 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15615526 | 10.1021/jm049605m | No relevant target | 1 |
| 15615526 | 10.1021/jm049605m | Cytochrome P450 2C19 | 1 |
| 15615526 | 10.1021/jm049605m | Cytochrome P450 2C9 | 1 |
Data from ChEMBL 36 via Core Engine