The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

Preferred Name	erlotinib
Synonyms	C22H23N3O4 Erlotinib N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine [6,7-Bis-(2-methoxy-ethoxy)-quinazolin-4-yl]-(3-ethynyl-phenyl)-amine
ID	http://purl.obolibrary.org/obo/CHEBI_114785
activates	http://purl.obolibrary.org/obo/dinto_3162
AHFScode	10:00.00
altId	CHEBI:40877
ATCCode	L01XE03
binds	http://purl.obolibrary.org/obo/dinto_0883 http://purl.obolibrary.org/obo/dinto_1221 http://purl.obolibrary.org/obo/dinto_0276 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_3162 http://purl.obolibrary.org/obo/dinto_2651 http://purl.obolibrary.org/obo/dinto_2990 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_0285 http://purl.obolibrary.org/obo/dinto_1440
blocks	http://purl.obolibrary.org/obo/dinto_2792
CASRN	183321-74-6
DBBrand	tarceva
DBname	erlotinib
DBSalt	erlotinib hydrochloride
DBSynonym	osi-774 cp358774
Definition	A quinazoline compound having a (3-ethynylphenyl)amino group at the 4-position and two 2-methoxyethoxy groups at the 6- and 7-positions.
has effect	http://purl.obolibrary.org/obo/OAE_0000388 http://purl.obolibrary.org/obo/OAE_0000879 http://purl.obolibrary.org/obo/OAE_0000453 http://purl.obolibrary.org/obo/OAE_0000597 http://purl.obolibrary.org/obo/OAE_0001505 http://purl.obolibrary.org/obo/OAE_0000557 http://purl.obolibrary.org/obo/OAE_0000377 http://purl.obolibrary.org/obo/OAE_0000198 http://purl.obolibrary.org/obo/OAE_0000561 http://purl.obolibrary.org/obo/OAE_0000825 http://purl.obolibrary.org/obo/OAE_0001481 http://purl.obolibrary.org/obo/OAE_0000443 http://purl.obolibrary.org/obo/OAE_0000801 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_0000418 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_0001397 http://purl.obolibrary.org/obo/OAE_0000250 http://purl.obolibrary.org/obo/OAE_0001144 http://purl.obolibrary.org/obo/OAE_0000600 http://purl.obolibrary.org/obo/OAE_0000310 http://purl.obolibrary.org/obo/OAE_0001365 http://purl.obolibrary.org/obo/OAE_0000608 http://purl.obolibrary.org/obo/OAE_0000861 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_0000687 http://purl.obolibrary.org/obo/OAE_0000455 http://purl.obolibrary.org/obo/OAE_0001003 http://purl.obolibrary.org/obo/OAE_0000434 http://purl.obolibrary.org/obo/OAE_0001068 http://purl.obolibrary.org/obo/OAE_0000400 http://purl.obolibrary.org/obo/OAE_0001341 http://purl.obolibrary.org/obo/OAE_0000645 http://purl.obolibrary.org/obo/OAE_0001135 http://purl.obolibrary.org/obo/OAE_0002206 http://purl.obolibrary.org/obo/OAE_0000533 http://purl.obolibrary.org/obo/OAE_0000894 http://purl.obolibrary.org/obo/OAE_0001004 http://purl.obolibrary.org/obo/OAE_0000038 http://purl.obolibrary.org/obo/OAE_0001164 http://purl.obolibrary.org/obo/OAE_0000968 http://purl.obolibrary.org/obo/OAE_0000034 http://purl.obolibrary.org/obo/OAE_0001202 http://purl.obolibrary.org/obo/OAE_0001145 http://purl.obolibrary.org/obo/OAE_0000508 http://purl.obolibrary.org/obo/OAE_0000536 http://purl.obolibrary.org/obo/OAE_0000647 http://purl.obolibrary.org/obo/OAE_0000385 http://purl.obolibrary.org/obo/OAE_0000185 http://purl.obolibrary.org/obo/OAE_0000602 http://purl.obolibrary.org/obo/OAE_0001279 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_0000374 http://purl.obolibrary.org/obo/OAE_0001166 http://purl.obolibrary.org/obo/OAE_0000211 http://purl.obolibrary.org/obo/OAE_0001187 http://purl.obolibrary.org/obo/OAE_0000260 http://purl.obolibrary.org/obo/OAE_0000534 http://purl.obolibrary.org/obo/OAE_0001364 http://purl.obolibrary.org/obo/OAE_0000402
has pharmacological target	http://purl.obolibrary.org/obo/dinto_2792 http://purl.obolibrary.org/obo/dinto_3162
has role	http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_37699
InChI	InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
InChIKey	InChIKey=AAKJLRGGTJKAMG-UHFFFAOYSA-N
inhibits	http://purl.obolibrary.org/obo/dinto_0883 http://purl.obolibrary.org/obo/dinto_1221 http://purl.obolibrary.org/obo/dinto_0276
is metabolised by	http://purl.obolibrary.org/obo/dinto_2651 http://purl.obolibrary.org/obo/dinto_2990 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_0285 http://purl.obolibrary.org/obo/dinto_1221
is substrate of	http://purl.obolibrary.org/obo/dinto_3582 http://purl.obolibrary.org/obo/dinto_0217 http://purl.obolibrary.org/obo/dinto_2651 http://purl.obolibrary.org/obo/dinto_2990 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_0285 http://purl.obolibrary.org/obo/dinto_1221 http://purl.obolibrary.org/obo/dinto_1440
is transported by	http://purl.obolibrary.org/obo/dinto_1440
label	erlotinib
may interact with	http://purl.obolibrary.org/obo/CHEBI_37924 http://purl.obolibrary.org/obo/dinto_DB00224 http://purl.obolibrary.org/obo/CHEBI_45304 http://purl.obolibrary.org/obo/CHEBI_7494 http://purl.obolibrary.org/obo/dinto_DB01323 http://purl.obolibrary.org/obo/dinto_DB01167 http://purl.obolibrary.org/obo/CHEBI_63621 http://purl.obolibrary.org/obo/dinto_DB00582 http://purl.obolibrary.org/obo/dinto_DB01361 http://purl.obolibrary.org/obo/CHEBI_3732 http://purl.obolibrary.org/obo/CHEBI_45367 http://purl.obolibrary.org/obo/dinto_DB00199 http://purl.obolibrary.org/obo/dinto_DB00072 http://purl.obolibrary.org/obo/dinto_DB00503 http://purl.obolibrary.org/obo/dinto_DB01026 http://purl.obolibrary.org/obo/CHEBI_28077 http://purl.obolibrary.org/obo/dinto_DB00220 http://purl.obolibrary.org/obo/dinto_DB00976
modulates	http://purl.obolibrary.org/obo/dinto_2792 http://purl.obolibrary.org/obo/dinto_3162
prefixIRI	obo2:CHEBI_114785
prefLabel	erlotinib
SMILES	COCCOC1=C(OCCOC)C=C2C(NC3=CC=CC(=C3)C#C)=NC=NC2=C1 COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Synonym	C22H23N3O4 Erlotinib N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine [6,7-Bis-(2-methoxy-ethoxy)-quinazolin-4-yl]-(3-ethynyl-phenyl)-amine
xref	DrugBank:DB00530 ChEMBL:14684309 ChEBI:114785 KEGG DRUG:D07907 CASRN:183321-74-6 National Drug Code Directory:54868-5447-0 ChEMBL:17983745 BindingDB:5446 PubChem Substance:46508021 Beilstein:8798958 Drugs Product Database (DPD):2269023 Wikipedia:http://en.wikipedia.org/wiki/Erlotinib ChEMBL:12270171 ChEMBL:16480284 PubChem Compound:176870 DrugBank:183321-74-6 PDBeChem:AQ4 RxList:http://www.rxlist.com/cgi/generic4/tarceva.htm PDB:AQ4 ChEMBL:15711537 PharmGKB:PA134687924 Wikipedia:Erlotinib ChEMBL:17889528 ChemSpider:154044 Drugs.com:http://www.drugs.com/cdi/erlotinib.html
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/CHEBI_114785	CHEBI	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_114785	DRON	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_114785	PDRO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_114785	FIDEO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_114785	CCONT	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_114785	HOIP	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_114785	COVID-19	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_114785	BERO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_114785	DDSS	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_114785	TXPO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_114785	BIOMODELS	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_114785	HINO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_114785	EFO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_114785	OBA	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_114785	CHEBI	LOOM
http://purl.obolibrary.org/obo/CHEBI_114785	DRON	LOOM
http://purl.bioontology.org/ontology/ATC/L01EB02	ATC	LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000148872	NDFRT	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#54862	OCHV	LOOM
http://purl.bioontology.org/ontology/RXNORM/337525	RXNORM	LOOM
http://purl.obolibrary.org/obo/NCIT_C65530	BERO	LOOM
http://purl.bioontology.org/ontology/VANDF/4021511	VANDF	LOOM
http://purl.jp/bio/4/id/200906071687404433	IOBC	LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C65530	NCIT	LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C65530	ROO	LOOM
https://go.drugbank.com/drugs/DB00530	MDM	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C400278	RH-MESH	LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/414123001	SNOMEDCT	LOOM
http://purl.bioontology.org/ontology/LNC/LP437063-3	LOINC	LOOM
http://www.phoc.org.cn/pmo/class/PMO_00026219	PMAPP-PMO	LOOM
http://purl.bioontology.org/ontology/LNC/MTHU069579	LOINC	LOOM
http://www.drugbank.ca/drugs/DB00530	FTC	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C1135135	OCHV	LOOM
http://evs.nci.nih.gov/ftp1/NDF-RT/NDF-RT.owl#N0000148872	ODAE	LOOM
http://purl.obolibrary.org/obo/CHEBI_114785	PDRO	LOOM
http://purl.obolibrary.org/obo/CHEBI_114785	FIDEO	LOOM
http://purl.obolibrary.org/obo/CHEBI_114785	CCONT	LOOM
http://purl.obolibrary.org/obo/CHEBI_114785	HOIP	LOOM
http://purl.obolibrary.org/obo/CHEBI_114785	COVID-19	LOOM
http://purl.obolibrary.org/obo/CHEBI_114785	BERO	LOOM
http://purl.obolibrary.org/obo/CHEBI_114785	DDSS	LOOM
http://purl.obolibrary.org/obo/CHEBI_114785	TXPO	LOOM
http://purl.obolibrary.org/obo/CHEBI_114785	BIOMODELS	LOOM
http://purl.obolibrary.org/obo/CHEBI_114785	HINO	LOOM
http://purl.obolibrary.org/obo/CHEBI_114785	EFO	LOOM
http://purl.obolibrary.org/obo/CHEBI_114785	OBA	LOOM
http://purl.obolibrary.org/obo/DRON_00018756	ODNAE	LOOM
http://stirdf.jst.go.jp/id/200907030019541920	IOBC	LOOM