Molecule Details
InChIKeyHKVAMNSJSFKALM-GKUWKFKPSA-N
Compound NameEverolimus
Canonical SMILESCO[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 pChEMBL8.23
SourceBindingDB;ChEMBL
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB01590
Drug NameEverolimus
CAS Number159351-69-6
Groups approved investigational
ATC Codes L01EG02 L04AH02
DescriptionEverolimus 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