Compound Detail
CHEMBL3344400
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Basic Information
| ChEMBL ID | CHEMBL3344400 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKLWZMUIZNTDNM-CCEZHUSRSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
444.6
MW (Da)
5.88
ALogP
3
HBA
1
HBD
51.1
PSA (Ų)
0.26
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.48
Ki 1 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial CHEMBL4521 | Ki | 6.64 | 6.64 | 230.0 | 1 |
| 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial CHEMBL4521 | IC50 | 5.48 | 5.48 | 3300.0 | 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 | = | 230.0 | nM | 6.64 | Inhibition of N-terminally MBP-fused human CYP24A1 by cell-free assay | 25240094 |
| 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial | IC50 | = | 3300.0 | nM | 5.48 | 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