Compound Detail
CHEMBL4167452
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CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC=C3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CN)CC[C@@H]32)C1
Basic Information
| ChEMBL ID | CHEMBL4167452 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DDOOWAPBKQDJGR-SZCYIGQKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
373.6
MW (Da)
5.09
ALogP
3
HBA
1
HBD
52.3
PSA (Ų)
0.55
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta(24)-sterol reductase CHEMBL2331059 | IC50 | 6.7 | 6.7 | 198.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta(24)-sterol reductase | IC50 | = | 198.0 | nM | 6.7 | Inhibition of DHCR24-mediated cholesterol biosynthesis in human HL60 cells asses... | 28964935 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28964935 | 10.1016/j.ejmech.2017.08.011 | HL-60 | 3 |
| 28964935 | 10.1016/j.ejmech.2017.08.011 | Delta(24)-sterol reductase | 2 |
Data from ChEMBL 36 via Core Engine