Compound Detail
CHEMBL70223
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Basic Information
| ChEMBL ID | CHEMBL70223 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSGXABIFGUPLNN-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
494.4
MW (Da)
1.99
ALogP
6
HBA
0
HBD
86.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lanosterol synthase CHEMBL3593 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
| Lanosterol synthase CHEMBL3262 | IC50 | 6.94 | 6.94 | 116.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lanosterol synthase | IC50 | = | 37.0 | nM | 7.43 | Compound was tested for its inhibition against human OSC enzyme | 11150166 |
| Lanosterol synthase | IC50 | = | 116.0 | nM | 6.94 | Concentration for the inhibition of rat microsomal oxidosqualene cyclase-lanoste... | 11514173 |
| Lanosterol synthase | IC50 | = | 116.0 | nM | 6.94 | Compound was tested for its inhibition against rat OSC enzyme | 11150166 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11514173 | 10.1016/s0960-894x(01)00423-1 | Rattus norvegicus | 3 |
| 11150166 | 10.1021/jm000139k | Lanosterol synthase | 3 |
| 11150166 | 10.1021/jm000139k | Unchecked | 3 |
| 11514173 | 10.1016/s0960-894x(01)00423-1 | Lanosterol synthase | 2 |
| 11514173 | 10.1016/s0960-894x(01)00423-1 | No relevant target | 1 |
| 11150166 | 10.1021/jm000139k | ADMET | 1 |
| 11150166 | 10.1021/jm000139k | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine