Compound Detail
CHEMBL359233
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Basic Information
| ChEMBL ID | CHEMBL359233 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UKYGMIASKCNKIZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
508.4
MW (Da)
2.30
ALogP
6
HBA
0
HBD
86.7
PSA (Ų)
0.63
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lanosterol synthase CHEMBL3593 | IC50 | 6.95 | 6.95 | 112.0 | 1 |
| Lanosterol synthase CHEMBL3262 | IC50 | 6.4 | 6.4 | 398.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lanosterol synthase | IC50 | = | 112.0 | nM | 6.95 | Compound was tested for its inhibition against human OSC enzyme | 11150166 |
| Lanosterol synthase | IC50 | = | 398.0 | nM | 6.4 | Compound was tested for its inhibition against rat OSC enzyme | 11150166 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11150166 | 10.1021/jm000139k | Lanosterol synthase | 3 |
| 11150166 | 10.1021/jm000139k | Unchecked | 3 |
| 11150166 | 10.1021/jm000139k | ADMET | 1 |
| 11150166 | 10.1021/jm000139k | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine