Compound Detail
CHEMBL359627
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Basic Information
| ChEMBL ID | CHEMBL359627 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MUCJLTBRRVGZER-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
410.5
MW (Da)
5.03
ALogP
5
HBA
0
HBD
54.1
PSA (Ų)
0.43
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 26A1 CHEMBL5141 | IC50 | 8.22 | 7.685 | 6.0 | 2 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 6.58 | 6.54 | 260.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 26A1 | IC50 | = | 6.0 | nM | 8.22 | Potency towards cytochrome P 450 26 enzyme activity | 15745819 |
| Cytochrome P450 26A1 | IC50 | = | 71.0 | nM | 7.15 | Potency towards cytochrome P 450 26 enzyme activity | 15745819 |
| Cytochrome P450 3A4 | IC50 | = | 260.0 | nM | 6.58 | Selectivity towards cytochrome P450 3A4 enzyme activity | 15745819 |
| Cytochrome P450 3A4 | IC50 | = | 320.0 | nM | 6.5 | 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