The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Preferred Name

dutasteride

Synonyms

N-[2,5-bis(trifluoromethyl)phenyl]-3-oxo-4-aza-5alpha-androst-1-ene-17beta-carboxamide

(5alpha,17beta)-N-(2,5-bis(trifluoromethyl)phenyl)-3-oxo-4-azaandrost-1-ene-17-carboxamide

C27H30F6N2O2

(1S,2R,7R,10S,11S,14S,15S)-N-[2,5-bis(trifluoromethyl)phenyl]-2,15-dimethyl-5-oxo-6-azatetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-3-ene-14-carboxamide

alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3-oxo-4-aza-5alpha-androst-1-ene-17beta-carboxy-2',5'-xylidide

ID

http://purl.obolibrary.org/obo/CHEBI_521033

AHFScode

92:00.00

ATCCode

G04CB02

CASRN

164656-23-9

DBBrand

avodart

DBname

dutasteride

Definition

Finasteride in which the tert-butyl group is replaced by a 2,5-bis(trifluoromethyl)phenyl group. A synthetic 4-azasteroid, dutasteride is a selective inhibitor of both the type 1 and type 2 isoforms of steroid 5alpha-reductase, an intracellular enzyme that converts testosterone to 5alpha-dihydrotestosterone. Dutasteride is used for the treatment of symptomatic benign prostatic hyperplasia in men with an enlarged prostate gland.

has effect

http://purl.obolibrary.org/obo/OAE_0001205

http://purl.obolibrary.org/obo/OAE_0001001

http://purl.obolibrary.org/obo/OAE_0001139

http://purl.obolibrary.org/obo/OAE_0001327

http://purl.obolibrary.org/obo/OAE_0000767

http://purl.obolibrary.org/obo/OAE_0000376

http://purl.obolibrary.org/obo/OAE_0000921

http://purl.obolibrary.org/obo/OAE_0000476

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

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

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

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

has pharmacological target

http://purl.obolibrary.org/obo/dinto_3990

http://purl.obolibrary.org/obo/dinto_0507

has role

http://purl.obolibrary.org/obo/CHEBI_50781

http://purl.obolibrary.org/obo/CHEBI_59844

InChI

InChI=1S/C27H30F6N2O2/c1-24-11-9-17-15(4-8-21-25(17,2)12-10-22(36)35-21)16(24)6-7-19(24)23(37)34-20-13-14(26(28,29)30)3-5-18(20)27(31,32)33/h3,5,10,12-13,15-17,19,21H,4,6-9,11H2,1-2H3,(H,34,37)(H,35,36)/t15-,16-,17-,19+,21+,24-,25+/m0/s1

InChIKey

InChIKey=JWJOTENAMICLJG-QWBYCMEYSA-N

inhibits

http://purl.obolibrary.org/obo/dinto_3990

http://purl.obolibrary.org/obo/dinto_0507

is metabolised by

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

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

label

dutasteride

prefixIRI

obo2:CHEBI_521033

prefLabel

dutasteride

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])NC(=O)C=C[C@]4(C)[C@@]3([H])CC[C@]12C)C(=O)NC1=CC(=CC=C1C(F)(F)F)C(F)(F)F

[H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])(C(=O)Nc5cc(ccc5C(F)(F)F)C(F)(F)F)[C@@]4(C)CC[C@]3([H])[C@@]1(C)C=CC(=O)N2

Synonym

N-[2,5-bis(trifluoromethyl)phenyl]-3-oxo-4-aza-5alpha-androst-1-ene-17beta-carboxamide

(5alpha,17beta)-N-(2,5-bis(trifluoromethyl)phenyl)-3-oxo-4-azaandrost-1-ene-17-carboxamide

C27H30F6N2O2

(1S,2R,7R,10S,11S,14S,15S)-N-[2,5-bis(trifluoromethyl)phenyl]-2,15-dimethyl-5-oxo-6-azatetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-3-ene-14-carboxamide

alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3-oxo-4-aza-5alpha-androst-1-ene-17beta-carboxy-2',5'-xylidide

xref

KEGG DRUG:D03820

DrugBank:DB01126

PharmGKB:PA164749300

CASRN:164656-23-9

Patent:WO9507927

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

Drugs Product Database (DPD):2247813

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

ChEBI:521033

Beilstein:7401530

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

National Drug Code Directory:0173-0712-15

subClassOf

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

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http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C47503 NCIT LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C47503 NCIT LOOM
http://purl.bioontology.org/ontology/UATC/G04CB02 ATC LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C108373 RH-MESH LOOM
http://purl.obolibrary.org/obo/DDO.owl#DDO_0004621 DDO LOOM
http://purl.obolibrary.org/obo/DDO.owl#DDO_0004621 DMTO LOOM
http://www.semanticweb.org/ontologies/2018/1/ProstateCancer.owl#dutasteride PCAO LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000148790 NDFRT LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#48591 OCHV LOOM
http://purl.jp/bio/4/id/200906017639116383 IOBC LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000479183 PDQ LOOM
http://stirdf.jst.go.jp/id/200907068774861843 IOBC LOOM
http://purl.obolibrary.org/obo/CHEBI_521033 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_521033 BIOMODELS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_521033 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_521033 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_521033 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_521033 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_521033 DRON LOOM
http://purl.obolibrary.org/obo/CHEBI_521033 DRON SAME_URI
http://purl.bioontology.org/ontology/NDDF/009824 NDDF LOOM
http://purl.bioontology.org/ontology/MESH/D000068538 MESH LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0754659 OCHV LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/385572003 SNOMEDCT LOOM
http://purl.bioontology.org/ontology/VANDF/4021371 VANDF LOOM
http://purl.bioontology.org/ontology/RXNORM/228790 RXNORM LOOM
http://www.drugbank.ca/drugs/DB01126 FTC LOOM