Compound Detail
CHEMBL518642
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Basic Information
| ChEMBL ID | CHEMBL518642 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLJFOZXCVNHVRH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
5.41
ALogP
5
HBA
1
HBD
55.9
PSA (Ų)
0.45
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 26A1 CHEMBL5141 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 26A1 | IC50 | = | 900.0 | nM | 6.05 | Inhibition of CYP26A1 in human MCF7 cells | 18722776 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18722776 | 10.1016/j.bmc.2007.06.048 | SH-SY5Y | 3 |
| 18722776 | 10.1016/j.bmc.2007.06.048 | Cytochrome P450 26A1 | 1 |
Data from ChEMBL 36 via Core Engine