Compound Detail
CHEMBL3215311
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Basic Information
| ChEMBL ID | CHEMBL3215311 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXRKWCWSGKXWRT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
240.3
MW (Da)
4.96
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.30
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 1A2 CHEMBL1075125 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| Cytochrome P450 1A1 CHEMBL2922 | Ki | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 1A2 | Ki | = | 4.0 | nM | 8.4 | Mechanism based inhibition of rat cytochrome P450 CYP1A2 measured by 7-methoxyre... | 16248836 |
| Cytochrome P450 1A1 | Ki | = | 300.0 | nM | 6.52 | Mechanism based inhibition of rat cytochrome P450 CYP1A1 measured by 7-ethoxyres... | 16248836 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16248836 | 10.2174/138920005774330639 | Cytochrome P450 1A1 | 2 |
| 16248836 | 10.2174/138920005774330639 | Cytochrome P450 1A2 | 2 |
Data from ChEMBL 36 via Core Engine