Molecule Details
| InChIKey | HKVAMNSJSFKALM-GKUWKFKPSA-N |
|---|---|
| Compound Name | Everolimus |
| Canonical SMILES | CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCO)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.23 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01590 |
|---|---|
| Drug Name | Everolimus |
| CAS Number | 159351-69-6 |
| Groups | approved investigational |
| ATC Codes | L01EG02 L04AH02 |
| Description | Everolimus is a derivative of Rapamycin (sirolimus), and works similarly to Rapamycin as an mTOR (mammalian target of rapamycin) inhibitor. It is currently used as an immunosuppressant to prevent rejection of organ transplants. In a similar fashion to other mTOR inhibitors Everolimus' effect is sole... |
Categories: Anti-Bacterial Agents Antineoplastic Agents Antineoplastic and Immunomodulating Agents Cancer immunotherapy Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (strength unknown) Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Decreased Immunologic Activity Enzyme Inhibitors Hyperglycemia-Associated Agents Immunologic Factors Immunosuppressive Agents Immunotherapy Kinase Inhibitor Lactones Macrolides Mammalian target of rapamycin (mTOR) kinase inhibitors Myelosuppressive Agents Narrow Therapeutic Index Drugs OATP1B1/SLCO1B1 Inhibitors OATP1B3 inhibitors P-glycoprotein inhibitors P-glycoprotein substrates P-glycoprotein substrates with a Narrow Therapeutic Index Polyketides Protein Kinase Inhibitors Selective Immunosuppressants mTOR Inhibitor Immunosuppressant mTOR Inhibitors
Cross-references: BindingDB: 50088378 ChEBI: 68478 CHEMBL1908360 ChemSpider: 21106307 Drugs Product Database (DPD): 13238 D02714 PharmGKB: PA164746311 PubChem:6442177 PubChem:46505248 RxCUI: 141704 Therapeutic Targets Database: DAP001223 Wikipedia: Everolimus ZINC: ZINC000169677008
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q8N122 | RPTOR | Homo sapiens | Human | PF02985 PF14538 PF00400 | 10.2 | IC50 | ChEMBL |
| Q9BVC4 | MLST8 | Homo sapiens | Human | PF00400 | 10.2 | IC50 | ChEMBL |
| P42345 | MTOR | Homo sapiens | Human | PF02259 PF02260 PF08771 PF23593 PF11865 PF00454 | 8.3 | IC50 | ChEMBL;BindingDB |
| P62942 | FKBP1A | Homo sapiens | Human | PF00254 | 6.3 | Kd | BindingDB |
| Q13451 | FKBP5 | Homo sapiens | Human | PF00254 PF00515 PF13181 | 6.1 | Kd | BindingDB |
DrugBank Target Actions (8)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P10635 | CYP2D6 | Cytochrome P450 2D6 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P42345 | MTOR | Serine/threonine-protein kinase mTOR | inhibitor | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inhibitor | transporters |
| P46721 | P46721 | Solute carrier organic anion transporter family member 1A2 | inhibitor | transporters |
| Q9NPD5 | SLCO1B3 | Solute carrier organic anion transporter family member 1B3 | inhibitor | transporters |
| Q9Y6L6 | SLCO1B1 | Solute carrier organic anion transporter family member 1B1 | inhibitor | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |