Molecule Details
| InChIKey | INBGSXNNRGWLJU-ZHHJOTBYSA-N |
|---|---|
| Compound Name | 25-Hydroxycholesterol |
| Canonical SMILES | C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.38 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB04705 |
|---|---|
| Drug Name | 25-Hydroxycholesterol |
| CAS Number | 2140-46-7 |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Categories: Cholestanes Cholestenes Fused-Ring Compounds Lipids Membrane Lipids Oxysterols Steroids Sterols
Cross-references: BindingDB: 20182 ChEBI: 42977 CHEMBL169046 ChemSpider: 58604 C15519 PDB: HC3 PubChem:65094 PubChem:46506794 ZINC: ZINC000005751264
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P05106 | ITGB3 | Homo sapiens | Human | PF07974 PF23105 PF18372 PF08725 PF07965 PF00362 PF17205 | 8.0 | Kd | ChEMBL;BindingDB |
| P06756 | ITGAV | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 PF00357 | 8.0 | Kd | ChEMBL |
| P22059 | OSBP | Homo sapiens | Human | PF01237 PF00169 | 7.7 | Kd | ChEMBL |
| Q969R2 | OSBP2 | Homo sapiens | Human | PF01237 PF00169 | 7.6 | Kd | ChEMBL;BindingDB |
| P04035 | HMGCR | Homo sapiens | Human | PF00368 PF12349 | 6.5 | IC50 | ChEMBL;BindingDB |
| Q12772 | SREBF2 | Homo sapiens | Human | PF00010 | 6.5 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P51449 | RORC | Nuclear receptor ROR-gamma | agonist | targets |