The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Preferred Name

fulvestrant

Synonyms

(1S,9R,11S,14S,15S)-15-methyl-9-{9-[(4,4,5,5,5-pentafluoropentane)sulfinyl]nonyl}tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,14-diol

C32H47F5O3S

7alpha-{9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17beta-diol

fulvestrant

ID

http://purl.obolibrary.org/obo/CHEBI_31638

AHFScode

10:00.00

ATCCode

L02BA03

blocks

http://purl.obolibrary.org/obo/dinto_2827

CASRN

129453-61-8

DBBrand

faslodex

DBname

fulvestrant

DBSynonym

ici 182,780

Definition

A 3-hydroxy steroid that has formula C32H47F5O3S.

has pharmacological target

http://purl.obolibrary.org/obo/dinto_2827

has role

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

http://purl.obolibrary.org/obo/CHEBI_50792

http://purl.obolibrary.org/obo/CHEBI_50837

InChI

InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29?,30+,41?/m1/s1

InChIKey

InChIKey=VWUXBMIQPBEWFH-LQKBAPIOSA-N

is metabolised by

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

label

fulvestrant

prefixIRI

obo2:CHEBI_31638

prefLabel

fulvestrant

SMILES

[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])C2[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)CC2=CC(O)=CC=C12

[H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])C1[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc21

Synonym

(1S,9R,11S,14S,15S)-15-methyl-9-{9-[(4,4,5,5,5-pentafluoropentane)sulfinyl]nonyl}tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,14-diol

C32H47F5O3S

7alpha-{9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17beta-diol

fulvestrant

xref

KEGG DRUG:D01161

Guide To Pharmacology:1015

ChEMBL:1192977

PharmGKB:PA164747170

National Drug Code Directory:0310-0720-50

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

BindingDB:50169743

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

Drugs Product Database (DPD):2248624

IUPHAR:1015

ChEBI:31638

DrugBank:DB00947

CASRN:129453-61-8

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

subClassOf

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

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Delete Mapping To Ontology Source
http://www.drugbank.ca/drugs/DB00947 FTC LOOM
http://purl.bioontology.org/ontology/NDDF/009642 NDDF LOOM
http://purl.obolibrary.org/obo/DRON_00018972 DRON LOOM
http://purl.obolibrary.org/obo/DRON_00018972 DRON LOOM
http://purl.obolibrary.org/obo/DRON_00018972 DRON LOOM
http://purl.bioontology.org/ontology/MESH/D000077267 MESH LOOM
http://purl.bioontology.org/ontology/UATC/L02BA03 ATC LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/385519002 SNOMEDCT LOOM
http://purl.obolibrary.org/obo/CHEBI_31638 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_31638 BIOMODELS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_31638 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_31638 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_31638 CCONT LOOM
http://purl.obolibrary.org/obo/CHEBI_31638 CCONT SAME_URI
http://purl.obolibrary.org/obo/CHEBI_31638 EFO LOOM
http://purl.obolibrary.org/obo/CHEBI_31638 EFO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_31638 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_31638 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_31638 EFO LOOM
http://purl.obolibrary.org/obo/CHEBI_31638 EFO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_31638 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_31638 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_31638 NIFSTD LOOM
http://purl.obolibrary.org/obo/CHEBI_31638 NIFSTD SAME_URI
http://purl.bioontology.org/ontology/NDFRT/N0000148770 NDFRT LOOM
http://purl.bioontology.org/ontology/RXNORM/282357 RXNORM LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000043053 PDQ LOOM
http://purl.bioontology.org/ontology/VANDF/4021350 VANDF LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C1379 NCIT LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C1379 NCIT LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C1379 NCIT LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C070081 RH-MESH LOOM