Compound Detail
CHEMBL544345
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Basic Information
| ChEMBL ID | CHEMBL544345 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CYTVWOKDYXCZGR-UHFFFAOYSA-N |
| Parent Compound | CHEMBL612027 |
| Active Moiety | CHEMBL612027 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
430.4
MW (Da)
5.71
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.34
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lanosterol synthase CHEMBL3593 | IC50 | 7.45 | 7.45 | 35.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lanosterol synthase | IC50 | = | 35.3 | nM | 7.45 | In vitro inhibition of human 2,3-oxidosqualene cyclase. | 12852766 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12852766 | 10.1021/jm021120f | Lanosterol synthase | 4 |
| 12852766 | 10.1021/jm021120f | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine