Compound Detail
CHEMBL2114277
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Basic Information
| ChEMBL ID | CHEMBL2114277 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZGFASEKBKWVCGP-FOIQADDNSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
4.07
ALogP
4
HBA
0
HBD
48.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 2C9 CHEMBL3397 | Ki | 5.82 | 5.31 | 1500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 2C9 | Ki | = | 1500.0 | nM | 5.82 | Binding affinity was measured on Cytochrome P450 2C9 | 10956186 |
| Cytochrome P450 2C9 | Ki | = | 16000.0 | nM | 4.8 | Binding affinity towards cytochrome P450 2C9 | 14761192 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14761192 | 10.1021/jm030972s | Cytochrome P450 2C9 | 1 |
| 10956186 | 10.1021/jm000048n | Cytochrome P450 2C9 | 1 |
Data from ChEMBL 36 via Core Engine