Compound Detail
CHEMBL482527
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Basic Information
| ChEMBL ID | CHEMBL482527 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVSOQMNOCJWZQN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
391.9
MW (Da)
4.36
ALogP
3
HBA
0
HBD
36.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lanosterol synthase CHEMBL3593 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 6.0 | mL.min-1.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lanosterol synthase | IC50 | = | 3.0 | nM | 8.52 | Inhibition of 2,3-oxidosqualene-lanosterol cyclase | 18467104 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18467104 | 10.1016/j.bmc.2008.04.034 | Rattus norvegicus | 2 |
| 18467104 | 10.1016/j.bmc.2008.04.034 | Lanosterol synthase | 1 |
| 18467104 | 10.1016/j.bmc.2008.04.034 | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine