Compound Detail
CHEMBL289116
ROGLETIMIDE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL289116 |
| Name | ROGLETIMIDE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | QXKJWHWUDVQATH-UHFFFAOYSA-N |
1
Targets
6
Activities
2
Assay Types
0
PK Parameters
5
Publications
3
Known Names
Molecular Properties
218.3
MW (Da)
1.17
ALogP
3
HBA
1
HBD
59.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Activity Summary
IC50 3 meas. best 5.3
Ki 3 meas. best 5.96
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | Ki | = | 1100.0 | nM | 5.96 | Inhibitory constant (Ki) for Cytochrome P450 19A1 | 3968684 |
| Aromatase | Ki | = | 1100.0 | nM | 5.96 | Inhibition of human placental cytochrome P450 19A1 with testosterone | 3625703 |
| Aromatase | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of Cytochrome P450 19A1 in human placenta | 2391706 |
| Aromatase | IC50 | = | 10000.0 | nM | 5.0 | Inhibitory activity against human placental cytochrome P450 19A1 | 3625703 |
| Aromatase | Ki | = | 14000.0 | nM | 4.85 | Inhibition of human placental cytochrome P450 19A1 with androstenedione | 3625703 |
| Aromatase | IC50 | = | 45000.0 | nM | 4.35 | Inhibition of human placental cytochrome P450 19A1 with androstenedione | 3625703 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3625703 | 10.1021/jm00392a004 | Aromatase | 5 |
| 3968684 | 10.1021/jm00380a009 | Aromatase | 3 |
| 3968684 | 10.1021/jm00380a009 | Cholesterol side-chain cleavage enzyme, mitochondrial | 1 |
| 3625703 | 10.1021/jm00392a004 | No relevant target | 1 |
| 2391706 | 10.1021/jm00171a052 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine