The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Preferred Name

exemestane

Synonyms

Exemestane

6-methyleneandrosta-1,4-diene-3,17-dione

6-methylideneandrosta-1,4-diene-3,17-dione

C20H24O2

exemestane

exemestanum

(1S,2R,10R,11S,15S)-2,15-dimethyl-8-methylidenetetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-diene-5,14-dione

exemestano

ID

http://purl.obolibrary.org/obo/CHEBI_4953

AHFScode

10:00.00

ATCCode

L02BG06

CASRN

107868-30-4

DBBrand

exemestance

aromasin

DBname

exemestane

DBSynonym

exemestanum [inn-latin]

exemestano [inn-spanish]

Definition

A 17-oxo steroid that is androsta-1,4-diene-3,17-dione in which the hydrogens at position 6 are replaced by a double bond to a methylene group. A selective inhibitor of the aromatase (oestrogen synthase) system, it is used in the treatment of advanced breast cancer.

has effect

http://purl.obolibrary.org/obo/OAE_0000388

http://purl.obolibrary.org/obo/OAE_0000449

http://purl.obolibrary.org/obo/OAE_0000453

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

http://purl.obolibrary.org/obo/OAE_0000356

http://purl.obolibrary.org/obo/OAE_0000236

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

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

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

http://purl.obolibrary.org/obo/OAE_0000198

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

http://purl.obolibrary.org/obo/OAE_0000493

http://purl.obolibrary.org/obo/OAE_0000567

http://purl.obolibrary.org/obo/OAE_0000415

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

http://purl.obolibrary.org/obo/OAE_0000418

http://purl.obolibrary.org/obo/OAE_0000210

http://purl.obolibrary.org/obo/OAE_0000319

http://purl.obolibrary.org/obo/OAE_0000021

http://purl.obolibrary.org/obo/OAE_0000967

http://purl.obolibrary.org/obo/OAE_0000317

http://purl.obolibrary.org/obo/OAE_0001280

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

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

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

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

http://purl.obolibrary.org/obo/OAE_0000050

http://purl.obolibrary.org/obo/OAE_0000207

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

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

http://purl.obolibrary.org/obo/OAE_0000632

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

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

http://purl.obolibrary.org/obo/OAE_0000300

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

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

http://purl.obolibrary.org/obo/OAE_0001200

http://purl.obolibrary.org/obo/OAE_0001515

http://purl.obolibrary.org/obo/OAE_0001529

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

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

http://purl.obolibrary.org/obo/OAE_0001153

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

http://purl.obolibrary.org/obo/OAE_0000533

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

http://purl.obolibrary.org/obo/OAE_0000038

http://purl.obolibrary.org/obo/OAE_0000034

http://purl.obolibrary.org/obo/OAE_0002122

http://purl.obolibrary.org/obo/OAE_0000401

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

http://purl.obolibrary.org/obo/OAE_0000022

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_0000779

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_0000211

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

http://purl.obolibrary.org/obo/OAE_0000466

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

http://purl.obolibrary.org/obo/OAE_0000534

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

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

has pharmacological target

http://purl.obolibrary.org/obo/dinto_3102

has role

http://purl.obolibrary.org/obo/CHEBI_35610

http://purl.obolibrary.org/obo/CHEBI_50790

InChI

InChI=1S/C20H24O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16H,1,4-5,7,9-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1

InChIKey

InChIKey=BFYIZQONLCFLEV-DAELLWKTSA-N

inhibits

http://purl.obolibrary.org/obo/dinto_3102

is metabolised by

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

label

exemestane

prefixIRI

obo2:CHEBI_4953

prefLabel

exemestane

SMILES

[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=C)C2=CC(=O)C=C[C@]12C

[H][C@@]12CC(=C)C3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=O)CC[C@@]21[H]

Synonym

Exemestane

6-methyleneandrosta-1,4-diene-3,17-dione

6-methylideneandrosta-1,4-diene-3,17-dione

C20H24O2

exemestane

exemestanum

(1S,2R,10R,11S,15S)-2,15-dimethyl-8-methylidenetetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-diene-5,14-dione

exemestano

xref

PubChem Compound:60198

Drugs Product Database (DPD):2242705

Wikipedia:Exemestane

RxList:http://www.rxlist.com/cgi/generic3/exemest.htm

National Drug Code Directory:0009-7663-04

ChEMBL:774325

CiteXplore:10882163

KEGG COMPOUND:C08162

PharmGKB:PA449563

CASRN:107868-30-4

KEGG DRUG:D00963

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

ChemSpider:54278

PubChem Substance:46508243

ChEBI:4953

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

DrugBank:DB00990

subClassOf

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

Delete Subject Author Type Created
No notes to display
Create mapping

Delete Mapping To Ontology Source
http://purl.obolibrary.org/obo/CHEBI_4953 PDRO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4953 HOIP SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4953 EFO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4953 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4953 BERO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4953 TXPO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4953 BIOMODELS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4953 DRON SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4953 ODNAE SAME_URI
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C056516 RH-MESH LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000042297 PDQ LOOM
http://purl.bioontology.org/ontology/NDDF/007997 NDDF LOOM
http://www.co-ode.org/ontologies/galen#Exemestane GALEN LOOM
http://www.phoc.org.cn/pmo/class/PMO_00026177 PMAPP-PMO LOOM
http://stirdf.jst.go.jp/id/200907024776115920 IOBC LOOM
http://purl.bioontology.org/ontology/ATC/L02BG06 ATC LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C1097 NCIT LOOM
http://purl.jp/bio/4/id/200906080010784042 IOBC LOOM
http://evs.nci.nih.gov/ftp1/NDF-RT/NDF-RT.owl#N0000148637 ODAE LOOM
http://purl.bioontology.org/ontology/RXNORM/258494 NLMVS LOOM
http://purl.bioontology.org/ontology/RXNORM/258494 RXNORM LOOM
http://purl.obolibrary.org/obo/NCIT_C1097 BERO LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/387017005 SNOMEDCT LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000148637 NDFRT LOOM
http://purl.bioontology.org/ontology/VANDF/4021191 VANDF LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#50038 OCHV LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0851344 OCHV LOOM
http://purl.obolibrary.org/obo/CHEBI_4953 PDRO LOOM
http://purl.obolibrary.org/obo/CHEBI_4953 HOIP LOOM
http://purl.obolibrary.org/obo/CHEBI_4953 EFO LOOM
http://purl.obolibrary.org/obo/CHEBI_4953 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_4953 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_4953 TXPO LOOM
http://purl.obolibrary.org/obo/CHEBI_4953 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_4953 DRON LOOM
http://purl.obolibrary.org/obo/CHEBI_4953 ODNAE LOOM
http://purl.bioontology.org/ontology/MESH/C056516 MESH LOOM
http://www.drugbank.ca/drugs/DB00990 FTC LOOM
https://go.drugbank.com/drugs/DB00990 MDM LOOM