The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Preferred Name

delavirdine

Synonyms

C22H28N6O3S

2-(4-(5-methanesulfonamido-1H-indol-2-ylcarbonyl)-1-piperazinyl)-N-(1-methylethyl)-3-pyridinamine

N-{2-[(4-{3-[(propan-2-yl)amino]pyridin-2-yl}piperazin-1-yl)carbonyl]-1H-indol-5-yl}methanesulfonamide

delavirdine

(N-[2-[4-[3-(1-methylethylamino)pyridin-2-yl]piperazin-1-yl]carbonyl-1H-indol-5-yl] methanesulfonamide)

1-(3-((1-methylethyl)amino)-2-pyridinyl)-4-((5-((methylsulfonyl)amino)-1H-indol-2-yl)carbonyl)piperazine

N-(2-(1-(3-(isopropylamino)pyridin-2-yl)piperazine-4-carbonyl)-1H-indol-5-yl)methanesulfonamide

Delavirdine

N-[2-({4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl}carbonyl)-1H-indol-5-yl]methanesulfonamide

N-{2-[4-(3-Isopropylamino-pyridin-2-yl)-piperazine-1-carbonyl]-1H-indol-5-yl}-methanesulfonamide

ID

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

AHFScode

08:18.08.16

altId

CHEBI:45727

CHEBI:4378

ATCCode

J05AG02

CASRN

136817-59-9

DBBrand

rescriptor

DBname

delavirdine

DBSalt

delavirdine mesylate

Definition

The amide resulting from the formal condensation of 5-[(methylsulfonyl)amino]-1H-indole-2-carboxylic acid and 4-amino group of 1-[3-(isopropylamino)pyridin-2-yl]piperazine, delavirdine is a non-nucleoside reverse transcriptase inhibitor with activity specific for HIV-1. Viral resistance emerges rapidly when delavirdine is used alone, so it is therefore used (as the methanesulfonic acid salt) with other antiretrovirals for combination therapy of HIV infection.

has effect

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

http://purl.obolibrary.org/obo/OAE_0000496

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

http://purl.obolibrary.org/obo/OAE_0000785

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

http://purl.obolibrary.org/obo/OAE_0000497

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

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

http://purl.obolibrary.org/obo/OAE_0000597

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

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

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

http://purl.obolibrary.org/obo/OAE_0000630

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

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

http://purl.obolibrary.org/obo/OAE_0000479

http://purl.obolibrary.org/obo/OAE_0000492

http://purl.obolibrary.org/obo/OAE_0000596

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

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

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

http://purl.obolibrary.org/obo/OAE_0000825

http://purl.obolibrary.org/obo/OAE_0001509

http://purl.obolibrary.org/obo/OAE_0001186

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

http://purl.obolibrary.org/obo/OAE_0000512

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

http://purl.obolibrary.org/obo/OAE_0000611

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

http://purl.obolibrary.org/obo/OAE_0001707

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_0001457

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

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

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

http://purl.obolibrary.org/obo/OAE_0000482

http://purl.obolibrary.org/obo/OAE_0000333

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

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

http://purl.obolibrary.org/obo/OAE_0000677

http://purl.obolibrary.org/obo/OAE_0000365

http://purl.obolibrary.org/obo/OAE_0001339

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_0000920

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

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_0000340

http://purl.obolibrary.org/obo/OAE_0000518

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_0000375

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

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

http://purl.obolibrary.org/obo/OAE_0000551

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

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

http://purl.obolibrary.org/obo/OAE_0000687

http://purl.obolibrary.org/obo/OAE_0000517

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

http://purl.obolibrary.org/obo/OAE_0001234

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

http://purl.obolibrary.org/obo/OAE_0001461

http://purl.obolibrary.org/obo/OAE_0001050

http://purl.obolibrary.org/obo/OAE_0000419

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

http://purl.obolibrary.org/obo/OAE_0000400

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

http://purl.obolibrary.org/obo/OAE_0000510

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_0000842

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

http://purl.obolibrary.org/obo/OAE_0001126

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

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

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

http://purl.obolibrary.org/obo/OAE_0000473

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

http://purl.obolibrary.org/obo/OAE_0000607

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

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

http://purl.obolibrary.org/obo/OAE_0000968

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

http://purl.obolibrary.org/obo/OAE_0000166

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

http://purl.obolibrary.org/obo/OAE_0000606

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

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_0000536

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

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

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_0000487

http://purl.obolibrary.org/obo/OAE_0001147

http://purl.obolibrary.org/obo/OAE_0000779

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_0000275

http://purl.obolibrary.org/obo/OAE_0000390

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

http://purl.obolibrary.org/obo/OAE_0001291

http://purl.obolibrary.org/obo/OAE_0000565

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

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

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_0000466

http://purl.obolibrary.org/obo/OAE_0000916

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

http://purl.obolibrary.org/obo/OAE_0000716

http://purl.obolibrary.org/obo/OAE_0001035

http://purl.obolibrary.org/obo/OAE_0000885

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

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

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

has pharmacological target

http://purl.obolibrary.org/obo/dinto_1703

has role

http://purl.obolibrary.org/obo/CHEBI_53756

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

InChI

InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3

InChIKey

InChIKey=WHBIGIKBNXZKFE-UHFFFAOYSA-N

inhibits

http://purl.obolibrary.org/obo/dinto_2651

http://purl.obolibrary.org/obo/dinto_2058

http://purl.obolibrary.org/obo/dinto_1703

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

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

http://purl.obolibrary.org/obo/dinto_0291

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

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

http://purl.obolibrary.org/obo/dinto_1221

is metabolised by

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

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

label

delavirdine

may interact with

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

http://purl.obolibrary.org/obo/dinto_DB00683

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_8107

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

http://purl.obolibrary.org/obo/CHEBI_10100

http://purl.obolibrary.org/obo/dinto_DB08864

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/dinto_DB00224

http://purl.obolibrary.org/obo/CHEBI_3419

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

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

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

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

http://purl.obolibrary.org/obo/CHEBI_9150

http://purl.obolibrary.org/obo/CHEBI_584020

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

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

http://purl.obolibrary.org/obo/dinto_DB00342

http://purl.obolibrary.org/obo/dinto_DB00214

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

http://purl.obolibrary.org/obo/dinto_DB01370

http://purl.obolibrary.org/obo/CHEBI_31794

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

http://purl.obolibrary.org/obo/CHEBI_51364

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_2611

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

http://purl.obolibrary.org/obo/CHEBI_6758

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

http://purl.obolibrary.org/obo/CHEBI_3720

http://purl.obolibrary.org/obo/CHEBI_39548

http://purl.obolibrary.org/obo/dinto_DB01378

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

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

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

http://purl.obolibrary.org/obo/dinto_DB00440

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

http://purl.obolibrary.org/obo/CHEBI_10033

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

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

http://purl.obolibrary.org/obo/dinto_DB00353

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

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

http://purl.obolibrary.org/obo/dinto_DB01369

http://purl.obolibrary.org/obo/CHEBI_4822

http://purl.obolibrary.org/obo/dinto_DB01373

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

http://purl.obolibrary.org/obo/CHEBI_2896

http://purl.obolibrary.org/obo/dinto_DB01287

http://purl.obolibrary.org/obo/CHEBI_27999

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

http://purl.obolibrary.org/obo/CHEBI_9674

http://purl.obolibrary.org/obo/CHEBI_64318

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

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

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

http://purl.obolibrary.org/obo/CHEBI_4562

prefixIRI

obo2:CHEBI_119573

prefLabel

delavirdine

SMILES

CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1

CC(C)NC1=C(N=CC=C1)N1CCN(CC1)C(=O)C1=CC2=C(N1)C=CC(NS(C)(=O)=O)=C2

Synonym

C22H28N6O3S

2-(4-(5-methanesulfonamido-1H-indol-2-ylcarbonyl)-1-piperazinyl)-N-(1-methylethyl)-3-pyridinamine

N-{2-[(4-{3-[(propan-2-yl)amino]pyridin-2-yl}piperazin-1-yl)carbonyl]-1H-indol-5-yl}methanesulfonamide

delavirdine

(N-[2-[4-[3-(1-methylethylamino)pyridin-2-yl]piperazin-1-yl]carbonyl-1H-indol-5-yl] methanesulfonamide)

1-(3-((1-methylethyl)amino)-2-pyridinyl)-4-((5-((methylsulfonyl)amino)-1H-indol-2-yl)carbonyl)piperazine

N-(2-(1-(3-(isopropylamino)pyridin-2-yl)piperazine-4-carbonyl)-1H-indol-5-yl)methanesulfonamide

Delavirdine

N-[2-({4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl}carbonyl)-1H-indol-5-yl]methanesulfonamide

N-{2-[4-(3-Isopropylamino-pyridin-2-yl)-piperazine-1-carbonyl]-1H-indol-5-yl}-methanesulfonamide

xref

ChEBI:119573

CiteXplore:21865017

CiteXplore:11364022

PharmGKB:PA449223

ChemSpider:5423

CiteXplore:21683601

PubChem Compound:5625

PubChem Substance:46508878

PDBeChem:SPP

CiteXplore:21080015

KEGG COMPOUND:C06941

BindingDB:1944

CiteXplore:11364099

CiteXplore:11327199

CiteXplore:11225565

Reaxys:6356813

CiteXplore:11363709

CASRN:136817-59-9

CiteXplore:11590527

Patent:WO9109849

CiteXplore:11363651

PDB:SPP

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

Wikipedia:Delavirdine

CiteXplore:11364481

CiteXplore:11124228

National Drug Code Directory:63010-020-36

CiteXplore:11364363

DrugBank:DB00705

CiteXplore:16449090

Beilstein:6356813

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

KEGG DRUG:D07782

Drugs Product Database (DPD):2238348

subClassOf

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

Delete Subject Author Type Created
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Create mapping

Delete Mapping To Ontology Source
http://purl.obolibrary.org/obo/CHEBI_119573 PDRO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_119573 BERO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_119573 HUPSON SAME_URI
http://purl.obolibrary.org/obo/CHEBI_119573 BIOMODELS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_119573 DRON SAME_URI
http://purl.obolibrary.org/obo/CHEBI_119573 CHEBI SAME_URI
http://purl.obolibrary.org/obo/MESH_D020008 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_119573 PDRO LOOM
http://purl.obolibrary.org/obo/CHEBI_119573 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_119573 HUPSON LOOM
http://purl.obolibrary.org/obo/CHEBI_119573 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_119573 DRON LOOM
http://purl.obolibrary.org/obo/CHEBI_119573 CHEBI LOOM
https://go.drugbank.com/drugs/DB00705 MDM LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D03.383.606.350 RH-MESH LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D03.438.473.250 RH-MESH LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000022056 NDFRT LOOM
http://purl.bioontology.org/ontology/MESH/D020008 MESH LOOM
http://purl.obolibrary.org/obo/OMIT_0019956 OMIT LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/108710001 SNOMEDCT LOOM
http://purl.bioontology.org/ontology/ATC/J05AG02 ATC LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D020008 RH-MESH LOOM
http://www.phoc.org.cn/pmo/class/PMO_00017723 PMAPP-PMO LOOM
http://purl.jp/bio/4/id/200906054057274203 IOBC LOOM
http://stirdf.jst.go.jp/id/200907095934731930 IOBC LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C65366 NCIT LOOM
http://purl.bioontology.org/ontology/NDDF/006463 NDDF LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#27749 OCHV LOOM
http://evs.nci.nih.gov/ftp1/NDF-RT/NDF-RT.owl#N0000022056 ODAE LOOM
http://purl.bioontology.org/ontology/LNC/LP21173-7 LOINC LOOM
http://purl.bioontology.org/ontology/LNC/MTHU012993 LOINC LOOM
http://purl.obolibrary.org/obo/DRON_00010568 ODNAE LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0288165 OCHV LOOM
http://purl.bioontology.org/ontology/CSP/4007-0036 CRISP LOOM
http://purl.bioontology.org/ontology/VANDF/4024051 VANDF LOOM
http://purl.bioontology.org/ontology/RXNORM/83816 RXNORM LOOM
http://purl.obolibrary.org/obo/NCIT_C65366 BERO LOOM