Compound Detail
CHEMBL362412
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Basic Information
| ChEMBL ID | CHEMBL362412 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXPLIKXVYZZBFD-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
473.6
MW (Da)
4.71
ALogP
7
HBA
0
HBD
65.8
PSA (Ų)
0.31
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 26A1 CHEMBL5141 | IC50 | 7.72 | 7.27 | 19.0 | 2 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 6.85 | 6.755 | 140.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 26A1 | IC50 | = | 19.0 | nM | 7.72 | Potency towards cytochrome P 450 26 enzyme activity | 15745819 |
| Cytochrome P450 3A4 | IC50 | = | 140.0 | nM | 6.85 | Selectivity towards cytochrome P450 3A4 enzyme activity | 15745819 |
| Cytochrome P450 26A1 | IC50 | = | 153.0 | nM | 6.82 | Potency towards cytochrome P 450 26 enzyme activity | 15745819 |
| Cytochrome P450 3A4 | IC50 | = | 220.0 | nM | 6.66 | 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