The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
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Preferred Name

gefitinib
Synonyms

N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-(4-morpholinyl)propoxy)-4-quinazolinamine

ZD 1839

4-(3'-chloro-4'-fluoroanilino)-7-methoxy-6-(3-morpholinopropoxy)quinazoline

N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine

Gefitinib

C22H24ClFN4O3

N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(morpholin-4-yl)propoxy]quinazolin-4-amine

Iressa
ID

http://purl.obolibrary.org/obo/CHEBI_49668
AHFScode

10:00.00
altId

CHEBI:38917

CHEBI:49667
ATCCode

L01XE02
binds

http://purl.obolibrary.org/obo/dinto_0883

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

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

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

http://purl.obolibrary.org/obo/dinto_0269

http://purl.obolibrary.org/obo/dinto_1440

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

http://purl.obolibrary.org/obo/dinto_3582

http://purl.obolibrary.org/obo/dinto_0217

http://purl.obolibrary.org/obo/dinto_2792

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

http://purl.obolibrary.org/obo/dinto_2792
CASRN

184475-35-2
DBBrand

iressa
DBname

gefitinib
DBSynonym

zd1839
Definition

A quinazoline that has formula C22H24ClFN4O3.
has effect

http://purl.obolibrary.org/obo/OAE_0000447

http://purl.obolibrary.org/obo/OAE_0001059

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

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

http://purl.obolibrary.org/obo/OAE_0000659

http://purl.obolibrary.org/obo/OAE_0000617

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

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

http://purl.obolibrary.org/obo/OAE_0001449

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

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

http://purl.obolibrary.org/obo/OAE_0000545

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

http://purl.obolibrary.org/obo/OAE_0001013

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

http://purl.obolibrary.org/obo/OAE_0001095

http://purl.obolibrary.org/obo/OAE_0000660

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

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_0000608

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

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

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

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

http://purl.obolibrary.org/obo/OAE_0000943

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

http://purl.obolibrary.org/obo/OAE_0000911

http://purl.obolibrary.org/obo/OAE_0000434

http://purl.obolibrary.org/obo/OAE_0001190

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

http://purl.obolibrary.org/obo/OAE_0001341

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

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

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

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

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

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

http://purl.obolibrary.org/obo/OAE_0000866

http://purl.obolibrary.org/obo/OAE_0000508

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

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

http://purl.obolibrary.org/obo/OAE_0001279

http://purl.obolibrary.org/obo/OAE_0001217

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

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

http://purl.obolibrary.org/obo/OAE_0000470

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

http://purl.obolibrary.org/obo/OAE_0001166

http://purl.obolibrary.org/obo/OAE_0000211

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

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

http://purl.obolibrary.org/obo/OAE_0001298
has pharmacological target

http://purl.obolibrary.org/obo/dinto_2792
has role

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

http://purl.obolibrary.org/obo/CHEBI_37699
InChI

InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
InChIKey

InChIKey=XGALLCVXEZPNRQ-UHFFFAOYSA-N
inhibits

http://purl.obolibrary.org/obo/dinto_0883

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

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

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

http://purl.obolibrary.org/obo/dinto_0269

http://purl.obolibrary.org/obo/dinto_1440
is metabolised by

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

http://purl.obolibrary.org/obo/dinto_0269

http://purl.obolibrary.org/obo/dinto_0901
is substrate of

http://purl.obolibrary.org/obo/dinto_3582

http://purl.obolibrary.org/obo/dinto_0217

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

http://purl.obolibrary.org/obo/dinto_0269

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

http://purl.obolibrary.org/obo/dinto_0883

http://purl.obolibrary.org/obo/dinto_1440
is transported by

http://purl.obolibrary.org/obo/dinto_0883

http://purl.obolibrary.org/obo/dinto_1440
label

gefitinib
may interact with

http://purl.obolibrary.org/obo/CHEBI_102524

http://purl.obolibrary.org/obo/CHEBI_8107

http://purl.obolibrary.org/obo/dinto_DB00794

http://purl.obolibrary.org/obo/dinto_DB00306

http://purl.obolibrary.org/obo/CHEBI_4888

http://purl.obolibrary.org/obo/dinto_DB01355

http://purl.obolibrary.org/obo/CHEBI_102216

http://purl.obolibrary.org/obo/dinto_DB00532

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

http://purl.obolibrary.org/obo/dinto_DB00312

http://purl.obolibrary.org/obo/CHEBI_53766

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

http://purl.obolibrary.org/obo/dinto_DB01354

http://purl.obolibrary.org/obo/CHEBI_133809

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

http://purl.obolibrary.org/obo/dinto_DB01167

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

http://purl.obolibrary.org/obo/dinto_DB00237

http://purl.obolibrary.org/obo/dinto_DB01352

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

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

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

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

http://purl.obolibrary.org/obo/dinto_DB01351

http://purl.obolibrary.org/obo/dinto_DB00199

http://purl.obolibrary.org/obo/CHEBI_4513

http://purl.obolibrary.org/obo/dinto_DB00072

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

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

http://purl.obolibrary.org/obo/dinto_DB01026

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

http://purl.obolibrary.org/obo/dinto_DB01346

http://purl.obolibrary.org/obo/dinto_DB01353

http://purl.obolibrary.org/obo/dinto_DB01341

http://purl.obolibrary.org/obo/CHEBI_9073

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

http://purl.obolibrary.org/obo/dinto_2792
prefixIRI

obo2:CHEBI_49668
prefLabel

gefitinib
related with

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

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1

COC1=C(OCCCN2CCOCC2)C=C2C(NC3=CC(Cl)=C(F)C=C3)=NC=NC2=C1
Synonym

N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-(4-morpholinyl)propoxy)-4-quinazolinamine

ZD 1839

4-(3'-chloro-4'-fluoroanilino)-7-methoxy-6-(3-morpholinopropoxy)quinazoline

N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine

Gefitinib

C22H24ClFN4O3

N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(morpholin-4-yl)propoxy]quinazolin-4-amine

Iressa
xref

BindingDB:5447

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

PharmGKB:PA131301952

Wikipedia:Gefitinib

PDB:IRE

Drugs Product Database (DPD):2248676

DrugBank:DB00317

ChemSpider:110217

National Drug Code Directory:0310-0482-30

PubChem Compound:123631

PDBeChem:IRE

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

PubChem Substance:46508649

ChEMBL:188232

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

CASRN:184475-35-2

ChEBI:49668
subClassOf

http://purl.obolibrary.org/obo/dinto_000055
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http://purl.obolibrary.org/obo/CHEBI_49668 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_49668 EFO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_49668 HOIP SAME_URI
http://purl.obolibrary.org/obo/CHEBI_49668 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_49668 OBA SAME_URI
http://purl.obolibrary.org/obo/CHEBI_49668 PDRO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_49668 FIDEO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_49668 BERO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_49668 TXPO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_49668 BIOMODELS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_49668 DRON SAME_URI
http://purl.obolibrary.org/obo/CHEBI_49668 NIFSTD SAME_URI
http://purl.obolibrary.org/obo/CHEBI_49668 HINO SAME_URI
http://purl.obolibrary.org/obo/XCO_0001239 XCO LOOM
http://purl.obolibrary.org/obo/CHEBI_49668 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_49668 EFO LOOM
http://purl.obolibrary.org/obo/XCO_0001239 XCO LOOM
http://purl.obolibrary.org/obo/CHEBI_49668 HOIP LOOM
http://purl.obolibrary.org/obo/CHEBI_49668 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_49668 OBA LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000148810 NDFRT LOOM
http://purl.obolibrary.org/obo/CHEBI_49668 PDRO LOOM
http://purl.obolibrary.org/obo/CHEBI_49668 FIDEO LOOM
http://purl.obolibrary.org/obo/CHEBI_49668 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_49668 TXPO LOOM
http://purl.obolibrary.org/obo/CHEBI_49668 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_49668 DRON LOOM
http://purl.obolibrary.org/obo/CHEBI_49668 NIFSTD LOOM
http://purl.obolibrary.org/obo/CHEBI_49668 HINO LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000043649 PDQ LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C419708 RH-MESH LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C1122962 OCHV LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C1855 NCIT LOOM
http://purl.bioontology.org/ontology/NDDF/009981 NDDF LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/407100002 SNOMEDCT LOOM
http://www.phoc.org.cn/pmo/class/PMO_00026220 PMAPP-PMO LOOM
http://purl.org/obo/owl/CHEBI#CHEBI_49668 NPO LOOM
http://purl.bioontology.org/ontology/MESH/D000077156 MESH LOOM
http://purl.bioontology.org/ontology/VANDF/4021392 VANDF LOOM
http://purl.obolibrary.org/obo/NCIT_C1855 BERO LOOM
http://www.drugbank.ca/drugs/DB00317 FTC LOOM
http://purl.bioontology.org/ontology/RXNORM/328134 RXNORM LOOM
https://go.drugbank.com/drugs/DB00317 MDM LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#54807 OCHV LOOM
http://purl.bioontology.org/ontology/ATC/L01EB01 ATC LOOM