Compound Detail
CHEMBL4099180
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Basic Information
| ChEMBL ID | CHEMBL4099180 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHXORWQJCWUMAN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
442.4
MW (Da)
2.42
ALogP
9
HBA
1
HBD
84.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial CHEMBL5993 | IC50 | 7.22 | 7.22 | 60.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial | IC50 | = | 60.2 | nM | 7.22 | Inhibition of human CYP27B1 | 28886997 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28886997 | 10.1016/j.bmc.2017.08.036 | Unchecked | 1 |
| 28886997 | 10.1016/j.bmc.2017.08.036 | 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial | 1 |
| 28886997 | 10.1016/j.bmc.2017.08.036 | 25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine