Compound Detail
CHEMBL426789
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL426789 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LUDUPPNOCMHNSY-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
429.5
MW (Da)
4.85
ALogP
5
HBA
1
HBD
67.6
PSA (Ų)
0.43
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 26A1 CHEMBL5141 | IC50 | 8.46 | 8.33 | 3.5 | 2 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 5.8 | 5.61 | 1590.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 26A1 | IC50 | = | 3.5 | nM | 8.46 | Potency towards cytochrome P 450 26 enzyme activity | 15745819 |
| Cytochrome P450 26A1 | IC50 | = | 6.3 | nM | 8.2 | Potency towards cytochrome P 450 26 enzyme activity | 15745819 |
| Cytochrome P450 3A4 | IC50 | = | 1590.0 | nM | 5.8 | Selectivity towards cytochrome P450 3A4 enzyme activity | 15745819 |
| Cytochrome P450 3A4 | IC50 | = | 3790.0 | nM | 5.42 | Selectivity towards cytochrome P450 3A4 enzyme activity | 15745819 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15745819 | 10.1016/j.bmcl.2005.01.044 | Cytochrome P450 26A1 | 2 |
| 15745819 | 10.1016/j.bmcl.2005.01.044 | Cytochrome P450 3A4 | 2 |
Data from ChEMBL 36 via Core Engine