Compound Detail
CHEMBL468419
FADROZOLE HYDROCHLORIDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL468419 |
| Name | FADROZOLE HYDROCHLORIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UKCVAQGKEOJTSR-UHFFFAOYSA-N |
| Parent Compound | CHEMBL9298 |
| Active Moiety | CHEMBL9298 |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
8
Publications
5
Known Names
1
Mechanisms
Molecular Properties
223.3
MW (Da)
2.68
ALogP
3
HBA
0
HBD
41.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Cytochrome P450 19A1 inhibitor | INHIBITOR | Aromatase | ✓ | ✓ |
Activity Summary
IC50 5 meas. best 10.52
Ki 1 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 10.52 | 9.355 | 0.0 | 2 |
| Aromatase CHEMBL1978 | Ki | 8.82 | 8.82 | 1.5 | 1 |
| Cytochrome P450 11B1, mitochondrial CHEMBL4970 | IC50 | 6.0 | 5.0 | 1000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 0.03 | nM | 10.52 | In vitro inhibition of estrogen production in hamster ovarian tissue | 1825337 |
| Aromatase | Ki | = | 1.5 | nM | 8.82 | Aromatase inhibitor potency as iron-binding-related type II difference spectrum | 1825337 |
| Aromatase | IC50 | = | 6.4 | nM | 8.19 | In vitro inhibition of cytochrome P450 19A1 | 1825337 |
| Cytochrome P450 11B1, mitochondrial | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of ACTH-stimulated aldosterone production in rat adrenal tissue | 1825337 |
| Cytochrome P450 11B1, mitochondrial | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of ACTH-stimulated corticosterone production in rat adrenal tissue | 1825337 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1825337 | 10.1021/jm00106a038 | Aromatase | 9 |
| 1825337 | 10.1021/jm00106a038 | Cytochrome P450 11B1, mitochondrial | 2 |
| 18640836 | 10.1016/j.bmcl.2008.06.094 | Aromatase | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 18640836 | 10.1016/j.bmcl.2008.06.094 | Steroid 17-alpha-hydroxylase/17,20 lyase | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine