Molecule Details
| InChIKey | HVYWMOMLDIMFJA-DPAQBDIFSA-N |
|---|---|
| Compound Name | Cholesterol |
| Canonical SMILES | CC(C)CCC[C@@H](C)[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) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.71 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB04540 |
|---|---|
| Drug Name | Cholesterol |
| CAS Number | 57-88-5 |
| Groups | approved investigational withdrawn |
| ATC Codes | nan |
| Description | The principal sterol of all higher animals, distributed in body tissues, especially the brain and spinal cord, and in animal fats and oils. |
Categories: BCRP/ABCG2 Inducers Cholestanes Cholestenes Fused-Ring Compounds Lipids Membrane Lipids P-glycoprotein inhibitors Steroids Sterols
Cross-references: BindingDB: 20192 ChEBI: 16113 CHEMBL112570 ChemSpider: 5775 Drugs Product Database (DPD): 9250 C00187 D00040 PDB: CLR PubChem:5997 PubChem:46508234 RxCUI: 2438 Wikipedia: Cholesterol ZINC: ZINC000003875383
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q969R2 | OSBP2 | Homo sapiens | Human | PF01237 PF00169 | 7.2 | Kd | ChEMBL;BindingDB |
| P22059 | OSBP | Homo sapiens | Human | PF01237 PF00169 | 6.8 | Kd | ChEMBL |
| Q9Y6A2 | CYP46A1 | Homo sapiens | Human | PF00067 | 6.2 | Kd | ChEMBL |
| P9WPP0 | cyp125 | Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh) | Pathogen | PF00067 | 7.0 | Kd | BindingDB |
| P9WPL4 | cyp142 | Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh) | Pathogen | PF00067 | 6.5 | Kd | BindingDB |
DrugBank Target Actions (7)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| Q9Y5K3 | Q9Y5K3 | Choline-phosphate cytidylyltransferase B | activator | targets |
| P11473 | VDR | Vitamin D3 receptor | binder | targets |
| P35398 | RORA | Nuclear receptor ROR-alpha | binder | targets |
| Q14994 | NR1I3 | Nuclear receptor subfamily 1 group I member 3 | binder | targets |
| Q9ULY5 | Q9ULY5 | C-type lectin domain family 4 member E | ligand | targets |
| Q9UNQ0 | ABCG2 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | inducer | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inhibitor | transporters |