Compound Detail
CHEMBL3344401
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Basic Information
| ChEMBL ID | CHEMBL3344401 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MKSOLNWGSYDLBC-VAWYXSNFSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
504.6
MW (Da)
5.90
ALogP
5
HBA
1
HBD
69.6
PSA (Ų)
0.20
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.98
Ki 1 meas. best 6.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial CHEMBL4521 | Ki | 6.13 | 6.13 | 740.0 | 1 |
| 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial CHEMBL4521 | IC50 | 4.98 | 4.98 | 10500.0 | 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 | = | 740.0 | nM | 6.13 | Inhibition of N-terminally MBP-fused human CYP24A1 by cell-free assay | 25240094 |
| 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial | IC50 | = | 10500.0 | nM | 4.98 | 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 |
Data from ChEMBL 36 via Core Engine