Compound Detail
CHEMBL3344395
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 | CHEMBL3344395 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ILIVVUDENIQBQC-CMDGGOBGSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
401.5
MW (Da)
5.51
ALogP
5
HBA
0
HBD
41.2
PSA (Ų)
0.27
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Ki 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial CHEMBL4521 | Ki | 7.85 | 7.85 | 14.0 | 1 |
| 25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial CHEMBL3329080 | Ki | 7.77 | 7.77 | 17.0 | 1 |
| 25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial CHEMBL3329080 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial CHEMBL4521 | IC50 | 6.72 | 6.72 | 190.0 | 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 | Ki | = | 14.0 | nM | 7.85 | Inhibition of N-terminally MBP-fused human CYP24A1 by cell-free assay | 25240094 |
| 25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial | Ki | = | 17.0 | nM | 7.77 | Inhibition of mouse CYP27B1 by cell-free assay | 25240094 |
| 25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial | IC50 | = | 100.0 | nM | 7.0 | Inhibition of mouse CYP27B1 by cell-free assay | 25240094 |
| 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial | IC50 | = | 190.0 | nM | 6.72 | Inhibition of N-terminally MBP-fused human CYP24A1 by cell-free assay | 25240094 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25240094 | 10.1016/j.ejmech.2014.09.035 | 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial | 2 |
| 25240094 | 10.1016/j.ejmech.2014.09.035 | 25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial | 2 |
| 25240094 | 10.1016/j.ejmech.2014.09.035 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine