Compound Detail
CHEMBL132091
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Basic Information
| ChEMBL ID | CHEMBL132091 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITTYRYJIHNHJBL-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
255.4
MW (Da)
3.68
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lanosterol synthase CHEMBL3593 | IC50 | 6.55 | 5.8233 | 280.0 | 3 |
| Lanosterol synthase CHEMBL3262 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lanosterol synthase | IC50 | = | 280.0 | nM | 6.55 | Tested for Oxidosqualene-lanosterol cyclase inhibition in Trypanosoma brucei | 13678402 |
| Lanosterol synthase | IC50 | = | 750.0 | nM | 6.12 | Tested for Oxidosqualene-lanosterol cyclase inhibition in Trypanosoma cruzi | 13678402 |
| Lanosterol synthase | IC50 | = | 2500.0 | nM | 5.6 | Tested for Oxidosqualene-lanosterol cyclase inhibition in rat | 13678402 |
| Lanosterol synthase | IC50 | = | 16000.0 | nM | 4.8 | Tested for Oxidosqualene-lanosterol cyclase inhibition in Pneumocystis carinii | 13678402 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 13678402 | 10.1021/jm034126t | Lanosterol synthase | 4 |
| 13678402 | 10.1021/jm034126t | Trypanosoma brucei | 1 |
| 13678402 | 10.1021/jm034126t | Trypanosoma cruzi | 1 |
| 13678402 | 10.1021/jm034126t | Leishmania mexicana | 1 |
| 13678402 | 10.1021/jm034126t | NIH3T3 | 1 |
| 13678402 | 10.1021/jm034126t | Toxoplasma gondii | 1 |
| 13678402 | 10.1021/jm034126t | Pneumocystis carinii | 1 |
Data from ChEMBL 36 via Core Engine