Compound Detail
CHEMBL3329772
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Basic Information
| ChEMBL ID | CHEMBL3329772 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCFUYXAFXKMNLF-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
446.5
MW (Da)
3.70
ALogP
5
HBA
2
HBD
93.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.89
Ki 1 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial CHEMBL4521 | Ki | 7.04 | 7.04 | 91.0 | 1 |
| 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial CHEMBL4521 | IC50 | 5.89 | 5.89 | 1300.0 | 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 | = | 91.0 | nM | 7.04 | Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(... | 25148392 |
| 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(... | 25148392 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25148392 | 10.1021/jm5009314 | 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial | 2 |
Data from ChEMBL 36 via Core Engine