The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Preferred Name

temsirolimus
Synonyms

(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,18R,19R,21R,23S,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.0^{4,9}]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate

C56H87NO16

ID

http://purl.obolibrary.org/obo/dinto_DB06287

AHFScode

10:00

ATCCode

L01XE09

binds

http://purl.obolibrary.org/obo/dinto_3081

http://purl.obolibrary.org/obo/dinto_2990

http://purl.obolibrary.org/obo/dinto_2993

http://purl.obolibrary.org/obo/dinto_0901

http://purl.obolibrary.org/obo/dinto_1440

http://purl.obolibrary.org/obo/dinto_1956

CASRN

162635-04-3

DBBrand

torisel

DBSynonym

cci-779

Definition

Temsirolimus is an intravenous drug for the treatment of renal cell carcinoma (RCC), developed by Wyeth Pharmaceuticals and approved by the FDA in late May 2007, and was also approved by the European Medicines Agency (EMEA) on November 2007. It is a derivative of sirolimus and is sold as Torisel.

has effect

http://purl.obolibrary.org/obo/OAE_0000424

http://purl.obolibrary.org/obo/OAE_0000599

http://purl.obolibrary.org/obo/OAE_0001373

http://purl.obolibrary.org/obo/OAE_0001505

http://purl.obolibrary.org/obo/OAE_0000557

http://purl.obolibrary.org/obo/OAE_0000905

http://purl.obolibrary.org/obo/OAE_0001154

http://purl.obolibrary.org/obo/OAE_0000377

http://purl.obolibrary.org/obo/OAE_0000902

http://purl.obolibrary.org/obo/OAE_0000839

http://purl.obolibrary.org/obo/OAE_0000406

http://purl.obolibrary.org/obo/OAE_0000561

http://purl.obolibrary.org/obo/OAE_0001249

http://purl.obolibrary.org/obo/OAE_0000443

http://purl.obolibrary.org/obo/OAE_0000308

http://purl.obolibrary.org/obo/OAE_0001449

http://purl.obolibrary.org/obo/OAE_0000373

http://purl.obolibrary.org/obo/OAE_0001448

http://purl.obolibrary.org/obo/OAE_0001095

http://purl.obolibrary.org/obo/OAE_0000382

http://purl.obolibrary.org/obo/OAE_0000250

http://purl.obolibrary.org/obo/OAE_0001073

http://purl.obolibrary.org/obo/OAE_0000600

http://purl.obolibrary.org/obo/OAE_0001378

http://purl.obolibrary.org/obo/OAE_0000310

http://purl.obolibrary.org/obo/OAE_0000608

http://purl.obolibrary.org/obo/OAE_0000403

http://purl.obolibrary.org/obo/OAE_0000861

http://purl.obolibrary.org/obo/OAE_0000601

http://purl.obolibrary.org/obo/OAE_0000375

http://purl.obolibrary.org/obo/OAE_0000386

http://purl.obolibrary.org/obo/OAE_0001340

http://purl.obolibrary.org/obo/OAE_0001062

http://purl.obolibrary.org/obo/OAE_0000455

http://purl.obolibrary.org/obo/OAE_0000498

http://purl.obolibrary.org/obo/OAE_0000084

http://purl.obolibrary.org/obo/OAE_0000434

http://purl.obolibrary.org/obo/OAE_0001190

http://purl.obolibrary.org/obo/OAE_0000086

http://purl.obolibrary.org/obo/OAE_0000645

http://purl.obolibrary.org/obo/OAE_0000584

http://purl.obolibrary.org/obo/OAE_0001129

http://purl.obolibrary.org/obo/OAE_0002206

http://purl.obolibrary.org/obo/OAE_0000894

http://purl.obolibrary.org/obo/OAE_0000243

http://purl.obolibrary.org/obo/OAE_0001281

http://purl.obolibrary.org/obo/OAE_0000414

http://purl.obolibrary.org/obo/OAE_0000469

http://purl.obolibrary.org/obo/OAE_0001164

http://purl.obolibrary.org/obo/OAE_0001202

http://purl.obolibrary.org/obo/OAE_0000866

http://purl.obolibrary.org/obo/OAE_0000508

http://purl.obolibrary.org/obo/OAE_0000343

http://purl.obolibrary.org/obo/OAE_0000647

http://purl.obolibrary.org/obo/OAE_0000306

http://purl.obolibrary.org/obo/OAE_0000385

http://purl.obolibrary.org/obo/OAE_0000185

http://purl.obolibrary.org/obo/OAE_0000602

http://purl.obolibrary.org/obo/OAE_0001052

http://purl.obolibrary.org/obo/OAE_0001217

http://purl.obolibrary.org/obo/OAE_0000396

http://purl.obolibrary.org/obo/OAE_0000362

http://purl.obolibrary.org/obo/OAE_0000374

http://purl.obolibrary.org/obo/OAE_0000394

http://purl.obolibrary.org/obo/OAE_0000211

http://purl.obolibrary.org/obo/OAE_0000462

http://purl.obolibrary.org/obo/OAE_0000358

http://purl.obolibrary.org/obo/OAE_0001309

http://purl.obolibrary.org/obo/OAE_0001364

http://purl.obolibrary.org/obo/OAE_0000402

http://purl.obolibrary.org/obo/OAE_0001298

http://purl.obolibrary.org/obo/OAE_0000350

http://purl.obolibrary.org/obo/OAE_0000304

has pharmacological target

http://purl.obolibrary.org/obo/dinto_3081

InChI

InChI=1S/C56H87NO16/c1-33-17-13-12-14-18-34(2)45(68-9)29-41-22-20-39(7)56(67,73-41)51(63)52(64)57-24-16-15-19-42(57)53(65)71-46(30-43(60)35(3)26-38(6)49(62)50(70-11)48(61)37(5)25-33)36(4)27-40-21-23-44(47(28-40)69-10)72-54(66)55(8,31-58)32-59/h12-14,17-18,26,33,35-37,39-42,44-47,49-50,58-59,62,67H,15-16,19-25,27-32H2,1-11H3/b14-12+,17-13+,34-18+,38-26+/t33-,35-,36-,37-,39-,40+,41+,42+,44-,45+,46+,47-,49-,50+,56-/m1/s1

InChIKey

InChIKey=CBPNZQVSJQDFBE-FUXHJELOSA-N

inhibits

http://purl.obolibrary.org/obo/dinto_3081

http://purl.obolibrary.org/obo/dinto_2990

http://purl.obolibrary.org/obo/dinto_2993

http://purl.obolibrary.org/obo/dinto_0901

http://purl.obolibrary.org/obo/dinto_1440

is metabolised by

http://purl.obolibrary.org/obo/dinto_2990

http://purl.obolibrary.org/obo/dinto_0901

http://purl.obolibrary.org/obo/dinto_1956

is substrate of

http://purl.obolibrary.org/obo/dinto_2990

http://purl.obolibrary.org/obo/dinto_0901

http://purl.obolibrary.org/obo/dinto_1956

http://purl.obolibrary.org/obo/dinto_1440

is transported by

http://purl.obolibrary.org/obo/dinto_1440

label

temsirolimus

may interact with

http://purl.obolibrary.org/obo/CHEBI_119486

http://purl.obolibrary.org/obo/CHEBI_41879

http://purl.obolibrary.org/obo/dinto_DB00519

http://purl.obolibrary.org/obo/CHEBI_119573

http://purl.obolibrary.org/obo/CHEBI_8107

http://purl.obolibrary.org/obo/dinto_DB00794

http://purl.obolibrary.org/obo/CHEBI_37924

http://purl.obolibrary.org/obo/dinto_DB00108

http://purl.obolibrary.org/obo/dinto_DB00224

http://purl.obolibrary.org/obo/CHEBI_40050

http://purl.obolibrary.org/obo/CHEBI_61049

http://purl.obolibrary.org/obo/CHEBI_45304

http://purl.obolibrary.org/obo/CHEBI_8069

http://purl.obolibrary.org/obo/dinto_DB00312

http://purl.obolibrary.org/obo/CHEBI_2654

http://purl.obolibrary.org/obo/CHEBI_7494

http://purl.obolibrary.org/obo/dinto_DB01601

http://purl.obolibrary.org/obo/dinto_DB01323

http://purl.obolibrary.org/obo/dinto_DB01167

http://purl.obolibrary.org/obo/CHEBI_7824

http://purl.obolibrary.org/obo/CHEBI_63621

http://purl.obolibrary.org/obo/CHEBI_681850

http://purl.obolibrary.org/obo/dinto_DB00582

http://purl.obolibrary.org/obo/dinto_DB01110

http://purl.obolibrary.org/obo/CHEBI_175901

http://purl.obolibrary.org/obo/CHEBI_3387

http://purl.obolibrary.org/obo/dinto_DB06372

http://purl.obolibrary.org/obo/CHEBI_3732

http://purl.obolibrary.org/obo/CHEBI_64355

http://purl.obolibrary.org/obo/CHEBI_45367

http://purl.obolibrary.org/obo/CHEBI_63628

http://purl.obolibrary.org/obo/CHEBI_28593

http://purl.obolibrary.org/obo/CHEBI_7447

http://purl.obolibrary.org/obo/dinto_DB00072

http://purl.obolibrary.org/obo/CHEBI_51450

http://purl.obolibrary.org/obo/dinto_DB00503

http://purl.obolibrary.org/obo/dinto_DB01319

http://purl.obolibrary.org/obo/dinto_DB01320

http://purl.obolibrary.org/obo/dinto_DB01026

http://purl.obolibrary.org/obo/CHEBI_367163

http://purl.obolibrary.org/obo/CHEBI_28077

http://purl.obolibrary.org/obo/CHEBI_46345

http://purl.obolibrary.org/obo/CHEBI_63613

http://purl.obolibrary.org/obo/dinto_DB00220

http://purl.obolibrary.org/obo/CHEBI_38940

http://purl.obolibrary.org/obo/dinto_DB00622

http://purl.obolibrary.org/obo/dinto_DB00976

http://purl.obolibrary.org/obo/CHEBI_45783

http://purl.obolibrary.org/obo/dinto_DB00951

prefixIRI

obo2:dinto_DB06287

prefLabel

temsirolimus

SMILES

OCC(C)(CO)C(=O)O[C@@H]1CC[C@@H](C[C@@H](C)[C@]2([H])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(C)\[C@@H](OC)C[C@]3([H])CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)C[C@H]1OC

Synonym

(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,18R,19R,21R,23S,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.0^{4,9}]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate

C56H87NO16

xref

Wikipedia:http://en.wikipedia.org/wiki/Temsirolimus

ChemSpider:21468899

PubChem Compound:23724530

PubChem Substance:99443243

RxList:http://www.rxlist.com/cgi/generic/torisel.htm

PharmGKB:PA164746890

Drugs.com:http://www.drugs.com/cdi/temsirolimus.html

subClassOf

http://purl.obolibrary.org/obo/dinto_000055

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