Compound Detail
CHEMBL4087998
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Basic Information
| ChEMBL ID | CHEMBL4087998 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXMNXDLERTXXCF-MDZDMXLPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
427.9
MW (Da)
5.73
ALogP
3
HBA
1
HBD
46.9
PSA (Ų)
0.38
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial CHEMBL4521 | IC50 | 6.8 | 6.8 | 160.0 | 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 | = | 160.0 | nM | 6.8 | Inhibition of MBP-tagged human CYP24A1 expressed Escherichia coli BL21-Gold(DE3)... | 28601511 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28601511 | 10.1016/j.bmc.2017.05.055 | 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine