Drug Details

Name:

Everolimus

PubChem ID:

6442177

Pathway:

Show KEGG pathways

InChI:

InChI=1/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

SMILES:

C[C@@H]1(C(=C(C(/[H])=C(\[H])C(/[H])=C(\C)[C@@H](C[C@@H]2(CC[C@H](C)[C@](C(C(N3CCCC[C@H]3C(=O)O[C@@H](CC([C@H](C)(C(/[H])=C(\C)[C@H]([C@@H](C([C@H](C)(C1))=O)OC)O))=O)([C@H](C)(C[C@@H]1(CC[C@H]([C@@H](C1)OC)OCCO))))=O)=O)(O)O2))OC)/[H])/[H])

Properties:

Formula:	C53H83NO14	Atoms:	68
Molecular Weight:	958.224	Rotatable Bonds:	9
H-bond Acceptors:	14	H-bond Donors:	0
logP:	6.1351

Targets:

Name	Uniprot ID	Source	References	Interaction
Cytochrome P450 3A4	CP3A4_HUMAN	SuperCyp	PMID 11384247	shows
DJ576K7.1 (FK506 binding protein 12-rapamycin associated protein 1)	Q96QW8_HUMAN	SuperTarget	PMID 015339861	shows
FRAP1 variant protein	Q4LE76_HUMAN	SuperTarget	PMID 015339861	shows
Serine/threonine-protein kinase mTOR	FRAP_HUMAN	DrugBank	-	shows

enlarge table

Synonyms:

(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-Dihydroxy-12-((1R)-2-((1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl)-1-methylethyl)-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-pentaone

(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-hexamethyl-23,27-epoxy-3H-pyrido(2,1-c)(1,4)oxaazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone

(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,27-dihydroxy-

(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone

159351-69-6

42-O-(2-Hydroxy)ethyl rapamycin

42-O-(2-Hydroxyethyl)rapamycin

Afinitor

Certican

Everolimus

Everolimus [USAN]

LS-143292

NCGC00167512-01

NVP-RAD-001

RAD

RAD 001