Compound Detail
CHEMBL253613
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Basic Information
| ChEMBL ID | CHEMBL253613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FHHNSSGZEIVGMS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
401.9
MW (Da)
5.22
ALogP
3
HBA
1
HBD
46.9
PSA (Ų)
0.48
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial CHEMBL4521 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| 25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial CHEMBL5993 | IC50 | 6.21 | 6.21 | 616.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial | IC50 | = | 15.0 | nM | 7.82 | Inhibition of CYP24 in human keratinocytes | 17544277 |
| 25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial | IC50 | = | 616.0 | nM | 6.21 | Inhibition of CYP27B1 in human keratinocytes | 17544277 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17544277 | 10.1016/j.bmc.2007.05.046 | 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial | 1 |
| 17544277 | 10.1016/j.bmc.2007.05.046 | 25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine