Compound Detail
CHEMBL1908221
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Basic Information
| ChEMBL ID | CHEMBL1908221 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPWNCLVNXGCGAF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
82.2
MW (Da)
1.67
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.39
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 2B4 CHEMBL1743542 | Ki | 4.12 | 4.12 | 75000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 2B4 | Ki | = | 75000.0 | nM | 4.12 | Mechanism based inhibition of rabbit cytochrome P450 CYP2B4 measured by 7-EFC O-... | 16248836 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16248836 | 10.2174/138920005774330639 | Cytochrome P450 2E1 | 2 |
| 16248836 | 10.2174/138920005774330639 | Cytochrome P450 2B4 | 2 |
Data from ChEMBL 36 via Core Engine