Everolimus
(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl]propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
Molecular Identity
Everolimus
(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl]propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
PubChem CID: 6442177
Everolimus is a macrocyclic lactone that is rapamycin in which the hydroxy group attached to the cyclohexyl moiety has been converted into the corresponding 2-hydroxyethyl ether. It is an immunosuppressant and antineoplastic agent. It has a role as an anticoronaviral agent, a geroprotector, an antineoplastic agent, an immunosuppressive agent and a mTOR inhibitor. It is a macrolide lactam, a primary alcohol, an ether, a secondary alcohol, a cyclic ketone and a cyclic acetal. It is functionally related to a member of sirolimus.
2D Structure
Properties
C53H83NO14
Molecular Formula
958.20
Molecular Weight
g/mol
957.5814
Exact Mass
Da
5.9
XLogP
Above Lipinski threshold
205
TPSA
May have limited oral absorption
3
H-Bond Donors
14
H-Bond Acceptors
1810
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
EverolimusAfinitorCertican159351-69-6SDZ-RAD42-O-(2-Hydroxyethyl)rapamycinZortressVotubia40-O-(2-hydroxyethyl)-rapamycinRAD001RAD-001Afinitor DisperzSDZ RADRapamycin, 42-O-(2-hydroxyethyl)-everolimusum
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Everolimus
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