Compound Detail
CHEMBL459505
TALAROZOLE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL459505 |
| Name | TALAROZOLE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | SNFYYXUGUBUECJ-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
9
Publications
5
Known Names
3
Indications
1
Mechanisms
Molecular Properties
377.5
MW (Da)
5.66
ALogP
6
HBA
1
HBD
55.6
PSA (Ų)
0.45
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Cytochrome P450 26A1 inhibitor | INHIBITOR | Cytochrome P450 26A1 | ✓ | ✓ |
Indications
Acne Vulgaris Psoriasis Inflammation
Activity Summary
IC50 7 meas. best 9.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 26B1 CHEMBL3713687 | IC50 | 9.34 | 9.34 | 0.5 | 2 |
| Cytochrome P450 26A1 CHEMBL5141 | IC50 | 8.29 | 8.29 | 5.1 | 2 |
| Cytochrome P450 2C8 CHEMBL3721 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 6.33 | 6.33 | 470.0 | 1 |
| Cytochrome P450 2C9 CHEMBL3397 | IC50 | 6.17 | 6.17 | 680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 26B1 | IC50 | = | 0.46 | nM | 9.34 | Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using ... | 26918322 |
| Cytochrome P450 26B1 | IC50 | = | 0.46 | nM | 9.34 | Inhibition Assay: Eighteen compounds were tested as potential inhibitors of CYP2... | - |
| Cytochrome P450 26A1 | IC50 | = | 5.1 | nM | 8.29 | Inhibition of microsomal fraction of human CYP26A1 expressed in Sf9 cells using ... | 26918322 |
| Cytochrome P450 26A1 | IC50 | = | 5.1 | nM | 8.29 | Inhibition Assay: Eighteen compounds were tested as potential inhibitors of CYP2... | - |
| Cytochrome P450 2C8 | IC50 | = | 220.0 | nM | 6.66 | Inhibition Assay: Compounds were assessed for inhibition (IC50, n=2) of CYP2C8, ... | - |
| Cytochrome P450 3A4 | IC50 | = | 470.0 | nM | 6.33 | Inhibition Assay: Compounds were assessed for inhibition (IC50, n=2) of CYP2C8, ... | - |
| Cytochrome P450 2C9 | IC50 | = | 680.0 | nM | 6.17 | Inhibition Assay: Compounds were assessed for inhibition (IC50, n=2) of CYP2C8, ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 26918322 | 10.1021/acs.jmedchem.5b01780 | Cytochrome P450 26B1 | 1 |
| 26918322 | 10.1021/acs.jmedchem.5b01780 | Cytochrome P450 26A1 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/EOS300033 | SARS-CoV-2 | 1 |
| - | 10.6019/EOS300108 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine