The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Preferred Name

darunavir

Synonyms

darunavir

(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-3-hydroxy-4-[N-(2-methylpropyl)(4-aminobenzene)sulfonamido]-1-phenylbutan-2-yl]carbamate

darunavirum

(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE

(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate

[(S)-3-[(4-Amino-benzenesulfonyl)-isobutyl-amino]-2-hydroxy-1-((R)-phenylmethyl)-propyl]-carbamic acid (3R,3aS,6aR)-(hexahydro-furo[2,3-b]furan-3-yl) ester

(3R,3aS,6aR)-tetrahydro-2H-furo[2,3-b]furan-3-yl (2S,3R)-4-(4-amino-N-isobutylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-ylcarbamate

Darunavir

(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-1-benzyl-2-hydroxypropyl]carbamate

{(1S,2R)-3-[(4-Amino-benzenesulfonyl)-isobutyl-amino]-1-benzyl-2-hydroxy-propyl}-carbamic acid (3R,3aS,6aR)-(hexahydro-furo[2,3-b]furan-3-yl) ester

TMC114

N-((1S,2R)-3-(((4-aminophenyl)sulfonyl)(2-methylpropyl)amino)-2-hydroxy-1-benzylpropyl)((1S,2R,5R)-4,6-dioxabicyclo(3.3.0)oct-2-yloxy)carboxamide

C27H37N3O7S

(3R,3aS,6aR)-tetrahydro-2H-furo[2,3-b]furan-3-yl (2S,3R)-4-(4-amino-N-neopentylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-ylcarbamate

(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-((1S,2R)-1-benzyl-2-hydroxy-3-(N(1)-isobutylsulfanilamido)propyl)carbamate

ID

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

AHFScode

08:18.08.08

altId

CHEBI:589942

CHEBI:39487

ATCCode

J05AE10

CASRN

206361-99-1

DBBrand

prezista

DBname

darunavir

DBSynonym

tmc114

aids073035

uic-94017

tmc-114

darunavirum [inn-latin]

Definition

An N,N-disubstituted benzenesulfonamide bearing an unsubstituted amino group at the 4-position, used for the treatment of HIV infection. A second-generation HIV protease inhibitor, darunavir was designed to form robust interactions with the protease enzyme from many strains of HIV, including those from treatment-experienced patients with multiple resistance mutations to other protease inhibitors.

has effect

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

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

http://purl.obolibrary.org/obo/OAE_0000720

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

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

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

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

http://purl.obolibrary.org/obo/OAE_0001045

http://purl.obolibrary.org/obo/OAE_0001273

http://purl.obolibrary.org/obo/OAE_0001259

http://purl.obolibrary.org/obo/OAE_0000391

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

http://purl.obolibrary.org/obo/OAE_0000218

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

http://purl.obolibrary.org/obo/OAE_0001046

http://purl.obolibrary.org/obo/OAE_0001167

http://purl.obolibrary.org/obo/OAE_0001034

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

http://purl.obolibrary.org/obo/OAE_0001360

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

http://purl.obolibrary.org/obo/OAE_0000195

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_0000317

http://purl.obolibrary.org/obo/OAE_0001370

http://purl.obolibrary.org/obo/OAE_0000197

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

http://purl.obolibrary.org/obo/OAE_0001033

http://purl.obolibrary.org/obo/OAE_0001025

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_0001365

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

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

http://purl.obolibrary.org/obo/OAE_0000539

http://purl.obolibrary.org/obo/OAE_0001053

http://purl.obolibrary.org/obo/OAE_0001055

http://purl.obolibrary.org/obo/OAE_0001026

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

http://purl.obolibrary.org/obo/OAE_0001463

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

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

http://purl.obolibrary.org/obo/OAE_0001275

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

http://purl.obolibrary.org/obo/OAE_0001105

http://purl.obolibrary.org/obo/OAE_0001024

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

http://purl.obolibrary.org/obo/OAE_0000995

http://purl.obolibrary.org/obo/OAE_0001057

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

http://purl.obolibrary.org/obo/OAE_0001308

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_0000584

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

http://purl.obolibrary.org/obo/OAE_0000440

http://purl.obolibrary.org/obo/OAE_0000613

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

http://purl.obolibrary.org/obo/OAE_0000355

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

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

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

http://purl.obolibrary.org/obo/OAE_0000822

http://purl.obolibrary.org/obo/OAE_0000460

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

http://purl.obolibrary.org/obo/OAE_0000536

http://purl.obolibrary.org/obo/OAE_0000505

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

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

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

http://purl.obolibrary.org/obo/OAE_0000468

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

http://purl.obolibrary.org/obo/OAE_0000336

http://purl.obolibrary.org/obo/OAE_0001597

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

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

http://purl.obolibrary.org/obo/OAE_0000347

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

http://purl.obolibrary.org/obo/OAE_0001128

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

http://purl.obolibrary.org/obo/OAE_0001031

http://purl.obolibrary.org/obo/OAE_0000501

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

http://purl.obolibrary.org/obo/OAE_0000881

http://purl.obolibrary.org/obo/OAE_0000260

http://purl.obolibrary.org/obo/OAE_0000618

http://purl.obolibrary.org/obo/OAE_0000890

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

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

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

http://purl.obolibrary.org/obo/OAE_0001054

http://purl.obolibrary.org/obo/OAE_0000811

has pharmacological target

http://purl.obolibrary.org/obo/dinto_3326

has role

http://purl.obolibrary.org/obo/CHEBI_35660

http://purl.obolibrary.org/obo/CHEBI_36044

InChI

InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1

InChIKey

InChIKey=CJBJHOAVZSMMDJ-HEXNFIEUSA-N

inhibits

http://purl.obolibrary.org/obo/dinto_3326

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

is metabolised by

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

label

darunavir

may interact with

http://purl.obolibrary.org/obo/dinto_DB00906

http://purl.obolibrary.org/obo/CHEBI_32250

http://purl.obolibrary.org/obo/CHEBI_9948

http://purl.obolibrary.org/obo/CHEBI_9943

http://purl.obolibrary.org/obo/CHEBI_4317

http://purl.obolibrary.org/obo/CHEBI_71940

http://purl.obolibrary.org/obo/CHEBI_41774

http://purl.obolibrary.org/obo/dinto_DB00541

http://purl.obolibrary.org/obo/CHEBI_10127

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

http://purl.obolibrary.org/obo/dinto_DB00726

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

http://purl.obolibrary.org/obo/CHEBI_63632

http://purl.obolibrary.org/obo/CHEBI_40303

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

http://purl.obolibrary.org/obo/dinto_DB00570

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

http://purl.obolibrary.org/obo/CHEBI_10125

http://purl.obolibrary.org/obo/CHEBI_9654

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

http://purl.obolibrary.org/obo/dinto_DB01558

http://purl.obolibrary.org/obo/CHEBI_75988

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

http://purl.obolibrary.org/obo/CHEBI_480999

http://purl.obolibrary.org/obo/CHEBI_9622

http://purl.obolibrary.org/obo/CHEBI_9398

http://purl.obolibrary.org/obo/CHEBI_32315

http://purl.obolibrary.org/obo/CHEBI_421707

http://purl.obolibrary.org/obo/CHEBI_6456

http://purl.obolibrary.org/obo/CHEBI_70735

http://purl.obolibrary.org/obo/CHEBI_46295

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

prefixIRI

obo2:CHEBI_367163

prefLabel

darunavir

SMILES

[H][C@]12OCC[C@@]1([H])[C@H](CO2)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1

[H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](CC1=CC=CC=C1)[C@H](O)CN(CC(C)C)S(=O)(=O)C1=CC=C(N)C=C1

Synonym

darunavir

(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-3-hydroxy-4-[N-(2-methylpropyl)(4-aminobenzene)sulfonamido]-1-phenylbutan-2-yl]carbamate

darunavirum

(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE

(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate

[(S)-3-[(4-Amino-benzenesulfonyl)-isobutyl-amino]-2-hydroxy-1-((R)-phenylmethyl)-propyl]-carbamic acid (3R,3aS,6aR)-(hexahydro-furo[2,3-b]furan-3-yl) ester

(3R,3aS,6aR)-tetrahydro-2H-furo[2,3-b]furan-3-yl (2S,3R)-4-(4-amino-N-isobutylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-ylcarbamate

Darunavir

(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-1-benzyl-2-hydroxypropyl]carbamate

{(1S,2R)-3-[(4-Amino-benzenesulfonyl)-isobutyl-amino]-1-benzyl-2-hydroxy-propyl}-carbamic acid (3R,3aS,6aR)-(hexahydro-furo[2,3-b]furan-3-yl) ester

TMC114

N-((1S,2R)-3-(((4-aminophenyl)sulfonyl)(2-methylpropyl)amino)-2-hydroxy-1-benzylpropyl)((1S,2R,5R)-4,6-dioxabicyclo(3.3.0)oct-2-yloxy)carboxamide

C27H37N3O7S

(3R,3aS,6aR)-tetrahydro-2H-furo[2,3-b]furan-3-yl (2S,3R)-4-(4-amino-N-neopentylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-ylcarbamate

(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-((1S,2R)-1-benzyl-2-hydroxy-3-(N(1)-isobutylsulfanilamido)propyl)carbamate

xref

ChEMBL:16480273

KEGG DRUG:D03656

Wikipedia:Darunavir

PubChem Substance:46506908

DrugBank:DB01264

Beilstein:7960555

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

BindingDB:8125

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

CASRN:206361-99-1

Drugs Product Database (DPD):2284057

PDBeChem:017

ChemSpider:184733

ChEBI:367163

PubChem Compound:213039

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

PharmGKB:PA163522472

National Drug Code Directory:59676-563-01

ChEMBL:15771427

subClassOf

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

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Delete Mapping To Ontology Source
http://purl.obolibrary.org/obo/CHEBI_367163 HOIP SAME_URI
http://purl.obolibrary.org/obo/CHEBI_367163 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_367163 PDRO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_367163 FIDEO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_367163 COVID-19 SAME_URI
http://purl.obolibrary.org/obo/CHEBI_367163 BERO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_367163 HUPSON SAME_URI
http://purl.obolibrary.org/obo/CHEBI_367163 TXPO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_367163 BIOMODELS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_367163 DRON SAME_URI
http://purl.obolibrary.org/obo/CHEBI_367163 CIDO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_367163 HOIP LOOM
http://purl.obolibrary.org/obo/CHEBI_367163 CHEBI LOOM
http://purl.jp/bio/4/id/200906087199818575 IOBC LOOM
http://purl.obolibrary.org/obo/OMIT_0001442 OMIT LOOM
http://stirdf.jst.go.jp/id/200907035438495647 IOBC LOOM
http://www.phoc.org.cn/pmo/class/PMO_00015948 PMAPP-PMO LOOM
http://purl.bioontology.org/ontology/NDDF/011599 NDDF LOOM
https://go.drugbank.com/drugs/DB01264 MDM LOOM
http://purl.bioontology.org/ontology/LNC/LP64724-5 LOINC LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C65364 NCIT LOOM
http://purl.bioontology.org/ontology/MESH/D000069454 MESH LOOM
http://purl.bioontology.org/ontology/VANDF/4025441 VANDF LOOM
http://purl.bioontology.org/ontology/LNC/MTHU026540 LOINC LOOM
http://purl.bioontology.org/ontology/RXNORM/460132 RXNORM LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000175996 NDFRT LOOM
http://purl.obolibrary.org/obo/MESH_D000069454 BERO LOOM
http://purl.obolibrary.org/obo/DRON_00020177 CIDO LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/423888002 SNOMEDCT LOOM
http://purl.obolibrary.org/obo/CHEBI_367163 PDRO LOOM
http://purl.obolibrary.org/obo/CHEBI_367163 FIDEO LOOM
http://purl.obolibrary.org/obo/CHEBI_367163 COVID-19 LOOM
http://purl.obolibrary.org/obo/CHEBI_367163 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_367163 HUPSON LOOM
http://purl.obolibrary.org/obo/CHEBI_367163 TXPO LOOM
http://purl.obolibrary.org/obo/CHEBI_367163 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_367163 DRON LOOM
http://purl.obolibrary.org/obo/CHEBI_367163 CIDO LOOM
http://purl.bioontology.org/ontology/ATC/J05AE10 ATC LOOM
http://purl.obolibrary.org/obo/NCIT_C65364 BERO LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C482292 RH-MESH LOOM