Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00224
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| Drug Name |
Everolimus
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| Synonyms |
(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34as)-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro-9,27-dihydroxy-3-((1R)-2-((1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl)-1-methylethyl)-10,21-dimethoxy-6,8,12,14,20,26-hexamethy; 40-O-(2-hydroxyethyl)-rapamycin; 42-O-(2-Hydroxyethyl)rapamycin; Afinitor; Afinitor (TN); CERTICAN(R); Certican; Certican (TN); Everolimus (JAN/USAN/INN); Everolimus [USAN]; MTOR kinase inhibitors; NVP-RAD-001; RAD 001; RAD-001; RAD-001C; RAD001; RAD001, SDZ-RAD, Certican, Zortress, Afinitor, Everolimus; SDZ-RAD; Zortress
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| Drug Type |
Small molecular drug
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| Indication | Renal cell carcinoma [ICD11:2C90] | Approved | [1] | |||
| Therapeutic Class |
Anticancer Agents
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| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C53H83NO14
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| Canonical SMILES |
CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OCCO)C)C)O)OC)C)C)C)OC
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| InChI |
InChI=1S/C53H83NO14/c1-32-16-12-11-13-17-33(2)44(63-8)30-40-21-19-38(7)53(62,68-40)50(59)51(60)54-23-15-14-18-41(54)52(61)67-45(35(4)28-39-20-22-43(66-25-24-55)46(29-39)64-9)31-42(56)34(3)27-37(6)48(58)49(65-10)47(57)36(5)26-32/h11-13,16-17,27,32,34-36,38-41,43-46,48-49,55,58,62H,14-15,18-26,28-31H2,1-10H3/b13-11+,16-12+,33-17+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53-/m1/s1
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| InChIKey |
HKVAMNSJSFKALM-GKUWKFKPSA-N
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| CAS Number |
CAS 159351-69-6
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| Pharmaceutical Properties | Molecular Weight | 958.2 | Topological Polar Surface Area | 205 | ||
| Heavy Atom Count | 68 | Rotatable Bond Count | 9 | |||
| Hydrogen Bond Donor Count | 3 | Hydrogen Bond Acceptor Count | 14 | |||
| XLogP |
5.9
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| PubChem CID | ||||||
| PubChem SID |
104178966
,12014881
,134338463
,135156085
,136340120
,136929859
,137140572
,139754909
,143493384
,144206063
,14767667
,14865574
,151990396
,152236848
,152258132
,160645716
,160646971
,162189189
,174527790
,175265707
,177748738
,179150022
,203355779
,226396389
,50044230
,50112765
,56311446
,56312241
,56312580
,56313164
,91613187
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| ChEBI ID |
ChEBI:68478
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [2] | |
| References | ||||||
| 1 | Everolimus was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Closer to the Site of Action: Everolimus Concentrations in Peripheral Blood Mononuclear Cells Correlate Well With Whole Blood Concentrations. Ther Drug Monit. 2015 Oct;37(5):675-80. | |||||
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