Compound Detail
CHEMBL224060
VOROZOLE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL224060 |
| Name | VOROZOLE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | XLMPPFTZALNBFS-INIZCTEOSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
6
Known Names
1
Indications
Molecular Properties
324.8
MW (Da)
2.85
ALogP
6
HBA
0
HBD
61.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Neoplasms
ATC Classification
L02BG05
vorozole
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ENDOCRINE THERAPY
Activity Summary
IC50 6 meas. best 8.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 8.86 | 8.1525 | 1.4 | 4 |
| Cytochrome P450 11B2, mitochondrial CHEMBL3237 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | IC50 | 4.02 | 4.02 | 95000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 1.38 | nM | 8.86 | Inhibition of human placental microsome CYP19 | 20413308 |
| Aromatase | IC50 | = | 1.413 | nM | 8.85 | Inhibition of human placental microsome CYP19 | 16279787 |
| Aromatase | IC50 | = | 29.0 | nM | 7.54 | Inhibition of aromatase (unknown origin) expressed in JEG-3 cells | 25992880 |
| Aromatase | IC50 | = | 44.2 | nM | 7.36 | Inhibition of aromatase activity in human JEG3 cells | 18590272 |
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 12000.0 | nM | 4.92 | In vitro inhibition of ACTH-stimulated aldosterone biosynthesis in rat adrenal s... | 7783141 |
| Cytochrome P450 11B1, mitochondrial | IC50 | = | 95000.0 | nM | 4.02 | In vitro inhibition of ACTH-stimulated corticosterone biosynthesis in rat adrena... | 7783141 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7783141 | 10.1021/jm00012a009 | Cytochrome P450 11B1, mitochondrial | 1 |
| 7783141 | 10.1021/jm00012a009 | Cytochrome P450 11B2, mitochondrial | 1 |
| 16279787 | 10.1021/jm058042r | Aromatase | 1 |
| 18590272 | 10.1021/jm800168s | Aromatase | 1 |
| 20413308 | 10.1016/j.bmcl.2010.03.113 | Aromatase | 1 |
| 25992880 | 10.1021/acs.jmedchem.5b00386 | Steryl-sulfatase | 1 |
| 25992880 | 10.1021/acs.jmedchem.5b00386 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine