Compound Detail
CHEMBL22049
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Basic Information
| ChEMBL ID | CHEMBL22049 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBGRMKZSJNJFTN-HKWLGGFDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
426.7
MW (Da)
9.82
ALogP
1
HBA
0
HBD
12.5
PSA (Ų)
0.14
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Squalene monooxygenase CHEMBL4241 | IC50 | 4.5 | 4.5 | 31800.0 | 1 |
| Lanosterol synthase CHEMBL3262 | IC50 | 4.08 | 4.08 | 83500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Squalene monooxygenase | IC50 | = | 31800.0 | nM | 4.5 | Compound was tested for its inhibitory activity against squalene epoxidase from ... | - |
| Lanosterol synthase | IC50 | = | 83500.0 | nM | 4.08 | Compound was evaluated for inhibitory activity against 2,3-oxidosqualene-lanoste... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80221-8 | Lanosterol synthase | 1 |
| - | 10.1016/S0960-894X(01)80720-4 | Squalene monooxygenase | 1 |
Data from ChEMBL 36 via Core Engine