Compound Detail
CHEMBL25405
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Basic Information
| ChEMBL ID | CHEMBL25405 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PXFAACCCJKQJNK-UHFFFAOYSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
341.8
MW (Da)
4.04
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lanosterol synthase CHEMBL3593 | IC50 | 7.66 | 7.14 | 22.0 | 4 |
| Lanosterol synthase CHEMBL3262 | IC50 | 7.24 | 7.0933 | 58.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lanosterol synthase | IC50 | = | 22.0 | nM | 7.66 | Tested for Oxidosqualene-lanosterol cyclase inhibition in Trypanosoma brucei | 13678402 |
| Lanosterol synthase | IC50 | = | 35.0 | nM | 7.46 | Compound was tested for its inhibition against human OSC enzyme | 11150166 |
| Lanosterol synthase | IC50 | = | 58.0 | nM | 7.24 | Concentration for the inhibition of rat microsomal oxidosqualene cyclase-lanoste... | 11514173 |
| Lanosterol synthase | IC50 | = | 58.0 | nM | 7.24 | In vitro percent inhibitory activity of the compound against rat microsomal OSC ... | 11150166 |
| Lanosterol synthase | IC50 | = | 92.0 | nM | 7.04 | Tested for Oxidosqualene-lanosterol cyclase inhibition in Pneumocystis carinii | 13678402 |
| Lanosterol synthase | IC50 | = | 160.0 | nM | 6.8 | Tested for Oxidosqualene-lanosterol cyclase inhibition in rat | 13678402 |
| Lanosterol synthase | IC50 | = | 400.0 | nM | 6.4 | Tested for Oxidosqualene-lanosterol cyclase inhibition in Trypanosoma cruzi | 13678402 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 13678402 | 10.1021/jm034126t | Lanosterol synthase | 4 |
| 11150166 | 10.1021/jm000139k | Lanosterol synthase | 2 |
| 11150166 | 10.1021/jm000139k | Unchecked | 2 |
| 11514173 | 10.1016/s0960-894x(01)00423-1 | No relevant target | 1 |
| 11514173 | 10.1016/s0960-894x(01)00423-1 | Lanosterol synthase | 1 |
| 10197973 | 10.1021/jm990038q | Lanosterol synthase | 1 |
| 11150166 | 10.1021/jm000139k | ADMET | 1 |
| 11150166 | 10.1021/jm000139k | No relevant target | 1 |
| 13678402 | 10.1021/jm034126t | Toxoplasma gondii | 1 |
| 13678402 | 10.1021/jm034126t | Pneumocystis carinii | 1 |
| 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 |
Data from ChEMBL 36 via Core Engine