Compound Detail
CHEMBL2105705
LUNACALCIPOL 🧪 Phase II
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🧪 Phase II
C=C1/C(=C\C=C2/CCC[C@]3(C)C([C@H](C)C/C=C/S(=O)(=O)C(C)(C)C)=CC[C@@H]23)C[C@@H](O)C[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL2105705 |
| Name | LUNACALCIPOL |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | RFQHCLMGLJGZNV-UXXOMSPDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
3
Known Names
4
Indications
1
Mechanisms
Molecular Properties
474.7
MW (Da)
5.80
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.49
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Vitamin D receptor agonist | AGONIST | Vitamin D3 receptor | ✓ | ✓ |
Indications
Hyperparathyroidism, Secondary Kidney Failure, Chronic Kidney Failure, Chronic Psoriasis
Activity Summary
IC50 1 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial CHEMBL4521 | IC50 | 7.57 | 7.57 | 27.0 | 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 | = | 27.0 | nM | 7.57 | 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 | 1 |
Data from ChEMBL 36 via Core Engine