The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

Id	http://purl.obolibrary.org/obo/CHEBI_64356 http://purl.obolibrary.org/obo/CHEBI_64356
Preferred Name	pregabalin
Synonyms	(S)-3-Isobutyl GABA Lyrica C8H17NO2 pregabalin (3S)-3-(aminomethyl)-5-methylhexanoic acid 3-Isobutyl GABA
Type	http://www.w3.org/2002/07/owl#Class

prefLabel	pregabalin
label	pregabalin
DBSynonym	ci-1008 s-(+)-3-isobutylgaba
ATCCode	N03AX16
Definition	A gamma-amino acid that is gamma-aminobutyric acid (GABA) carrying an isobutyl substitutent at the beta-position (the S-enantiomer). Binds with high affinity to the alpha2-delta site (an auxiliary subunit of voltage-gated calcium channels) in central nervous system tissues.
has effect	http://purl.obolibrary.org/obo/OAE_0001124 http://purl.obolibrary.org/obo/OAE_0000238 http://purl.obolibrary.org/obo/OAE_0000388 http://purl.obolibrary.org/obo/OAE_0001297 http://purl.obolibrary.org/obo/OAE_0000496 http://purl.obolibrary.org/obo/OAE_0000447 http://purl.obolibrary.org/obo/OAE_0000424 http://purl.obolibrary.org/obo/OAE_0000785 http://purl.obolibrary.org/obo/OAE_0001059 http://purl.obolibrary.org/obo/OAE_0001199 http://purl.obolibrary.org/obo/OAE_0000395 http://purl.obolibrary.org/obo/OAE_0001120 http://purl.obolibrary.org/obo/OAE_0000497 http://purl.obolibrary.org/obo/OAE_0000875 http://purl.obolibrary.org/obo/OAE_0000597 http://purl.obolibrary.org/obo/OAE_0000589 http://purl.obolibrary.org/obo/OAE_0000573 http://purl.obolibrary.org/obo/OAE_0000236 http://purl.obolibrary.org/obo/OAE_0000604 http://purl.obolibrary.org/obo/OAE_0001505 http://purl.obolibrary.org/obo/OAE_0000888 http://purl.obolibrary.org/obo/OAE_0000905 http://purl.obolibrary.org/obo/OAE_0001098 http://purl.obolibrary.org/obo/OAE_0000377 http://purl.obolibrary.org/obo/OAE_0001437 http://purl.obolibrary.org/obo/OAE_0000902 http://purl.obolibrary.org/obo/OAE_0000391 http://purl.obolibrary.org/obo/OAE_0000839 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_0000659 http://purl.obolibrary.org/obo/OAE_0001428 http://purl.obolibrary.org/obo/OAE_0000429 http://purl.obolibrary.org/obo/OAE_0000492 http://purl.obolibrary.org/obo/OAE_0000617 http://purl.obolibrary.org/obo/OAE_0000198 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_0000301 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_0000493 http://purl.obolibrary.org/obo/OAE_0001167 http://purl.obolibrary.org/obo/OAE_0000411 http://purl.obolibrary.org/obo/OAE_0001481 http://purl.obolibrary.org/obo/OAE_0000443 http://purl.obolibrary.org/obo/OAE_0001186 http://purl.obolibrary.org/obo/OAE_0000921 http://purl.obolibrary.org/obo/OAE_0001431 http://purl.obolibrary.org/obo/OAE_0000512 http://purl.obolibrary.org/obo/OAE_0000308 http://purl.obolibrary.org/obo/OAE_0001489 http://purl.obolibrary.org/obo/OAE_0000611 http://purl.obolibrary.org/obo/OAE_0001449 http://purl.obolibrary.org/obo/OAE_0001759 http://purl.obolibrary.org/obo/OAE_0001360 http://purl.obolibrary.org/obo/OAE_0000801 http://purl.obolibrary.org/obo/OAE_0001333 http://purl.obolibrary.org/obo/OAE_0001369 http://purl.obolibrary.org/obo/OAE_0000567 http://purl.obolibrary.org/obo/OAE_0000549 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_0000577 http://purl.obolibrary.org/obo/OAE_0001013 http://purl.obolibrary.org/obo/OAE_0000210 http://purl.obolibrary.org/obo/OAE_0000319 http://purl.obolibrary.org/obo/OAE_0000967 http://purl.obolibrary.org/obo/OAE_0000412 http://purl.obolibrary.org/obo/OAE_0000465 http://purl.obolibrary.org/obo/OAE_0001448 http://purl.obolibrary.org/obo/OAE_0000317 http://purl.obolibrary.org/obo/OAE_0000660 http://purl.obolibrary.org/obo/OAE_0000482 http://purl.obolibrary.org/obo/OAE_0001436 http://purl.obolibrary.org/obo/OAE_0001751 http://purl.obolibrary.org/obo/OAE_0000197 http://purl.obolibrary.org/obo/OAE_0000805 http://purl.obolibrary.org/obo/OAE_0001280 http://purl.obolibrary.org/obo/OAE_0000382 http://purl.obolibrary.org/obo/OAE_0000250 http://purl.obolibrary.org/obo/OAE_0001073 http://purl.obolibrary.org/obo/OAE_0000935 http://purl.obolibrary.org/obo/OAE_0000677 http://purl.obolibrary.org/obo/OAE_0000365 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_0000527 http://purl.obolibrary.org/obo/OAE_0000984 http://purl.obolibrary.org/obo/OAE_0000426 http://purl.obolibrary.org/obo/OAE_0000883 http://purl.obolibrary.org/obo/OAE_0000761 http://purl.obolibrary.org/obo/OAE_0000207 http://purl.obolibrary.org/obo/OAE_0001365 http://purl.obolibrary.org/obo/OAE_0000476 http://purl.obolibrary.org/obo/OAE_0000920 http://purl.obolibrary.org/obo/OAE_0000915 http://purl.obolibrary.org/obo/OAE_0001538 http://purl.obolibrary.org/obo/OAE_0000608 http://purl.obolibrary.org/obo/OAE_0000945 http://purl.obolibrary.org/obo/OAE_0000403 http://purl.obolibrary.org/obo/OAE_0000539 http://purl.obolibrary.org/obo/OAE_0000103 http://purl.obolibrary.org/obo/OAE_0000937 http://purl.obolibrary.org/obo/OAE_0001053 http://purl.obolibrary.org/obo/OAE_0000612 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_0001063 http://purl.obolibrary.org/obo/OAE_0000454 http://purl.obolibrary.org/obo/OAE_0001042 http://purl.obolibrary.org/obo/OAE_0000632 http://purl.obolibrary.org/obo/OAE_0000863 http://purl.obolibrary.org/obo/OAE_0000601 http://purl.obolibrary.org/obo/OAE_0000375 http://purl.obolibrary.org/obo/OAE_0001433 http://purl.obolibrary.org/obo/OAE_0000300 http://purl.obolibrary.org/obo/OAE_0000386 http://purl.obolibrary.org/obo/OAE_0001340 http://purl.obolibrary.org/obo/OAE_0000551 http://purl.obolibrary.org/obo/OAE_0001062 http://purl.obolibrary.org/obo/OAE_0000691 http://purl.obolibrary.org/obo/OAE_0000895 http://purl.obolibrary.org/obo/OAE_0001275 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_0000802 http://purl.obolibrary.org/obo/OAE_0000498 http://purl.obolibrary.org/obo/OAE_0000502 http://purl.obolibrary.org/obo/OAE_0001101 http://purl.obolibrary.org/obo/OAE_0000995 http://purl.obolibrary.org/obo/OAE_0001420 http://purl.obolibrary.org/obo/OAE_0000671 http://purl.obolibrary.org/obo/OAE_0001003 http://purl.obolibrary.org/obo/OAE_0001014 http://purl.obolibrary.org/obo/OAE_0001050 http://purl.obolibrary.org/obo/OAE_0001057 http://purl.obolibrary.org/obo/OAE_0000419 http://purl.obolibrary.org/obo/OAE_0000911 http://purl.obolibrary.org/obo/OAE_0000434 http://purl.obolibrary.org/obo/OAE_0001200 http://purl.obolibrary.org/obo/OAE_0001243 http://purl.obolibrary.org/obo/OAE_0001295 http://purl.obolibrary.org/obo/OAE_0001515 http://purl.obolibrary.org/obo/OAE_0000526 http://purl.obolibrary.org/obo/OAE_0001308 http://purl.obolibrary.org/obo/OAE_0001190 http://purl.obolibrary.org/obo/OAE_0001070 http://purl.obolibrary.org/obo/OAE_0001284 http://purl.obolibrary.org/obo/OAE_0001529 http://purl.obolibrary.org/obo/OAE_0001425 http://purl.obolibrary.org/obo/OAE_0000309 http://purl.obolibrary.org/obo/OAE_0001374 http://purl.obolibrary.org/obo/OAE_0000587 http://purl.obolibrary.org/obo/OAE_0000400 http://purl.obolibrary.org/obo/OAE_0000086 http://purl.obolibrary.org/obo/OAE_0000586 http://purl.obolibrary.org/obo/OAE_0001341 http://purl.obolibrary.org/obo/OAE_0000494 http://purl.obolibrary.org/obo/OAE_0000510 http://purl.obolibrary.org/obo/OAE_0000584 http://purl.obolibrary.org/obo/OAE_0001129 http://purl.obolibrary.org/obo/OAE_0000475 http://purl.obolibrary.org/obo/OAE_0000842 http://purl.obolibrary.org/obo/OAE_0001153 http://purl.obolibrary.org/obo/OAE_0002206 http://purl.obolibrary.org/obo/OAE_0000666 http://purl.obolibrary.org/obo/OAE_0001106 http://purl.obolibrary.org/obo/OAE_0000433 http://purl.obolibrary.org/obo/OAE_0000184 http://purl.obolibrary.org/obo/OAE_0000533 http://purl.obolibrary.org/obo/OAE_0000542 http://purl.obolibrary.org/obo/OAE_0000440 http://purl.obolibrary.org/obo/OAE_0000674 http://purl.obolibrary.org/obo/OAE_0000613 http://purl.obolibrary.org/obo/OAE_0000894 http://purl.obolibrary.org/obo/OAE_0000243 http://purl.obolibrary.org/obo/OAE_0001233 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_0000525 http://purl.obolibrary.org/obo/OAE_0000789 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_0000438 http://purl.obolibrary.org/obo/OAE_0000166 http://purl.obolibrary.org/obo/OAE_0002122 http://purl.obolibrary.org/obo/OAE_0001343 http://purl.obolibrary.org/obo/OAE_0000344 http://purl.obolibrary.org/obo/OAE_0001276 http://purl.obolibrary.org/obo/OAE_0001202 http://purl.obolibrary.org/obo/OAE_0001742 http://purl.obolibrary.org/obo/OAE_0000606 http://purl.obolibrary.org/obo/OAE_0000495 http://purl.obolibrary.org/obo/OAE_0000460 http://purl.obolibrary.org/obo/OAE_0001104 http://purl.obolibrary.org/obo/OAE_0000866 http://purl.obolibrary.org/obo/OAE_0000508 http://purl.obolibrary.org/obo/OAE_0000401 http://purl.obolibrary.org/obo/OAE_0001256 http://purl.obolibrary.org/obo/OAE_0000917 http://purl.obolibrary.org/obo/OAE_0000780 http://purl.obolibrary.org/obo/OAE_0000343 http://purl.obolibrary.org/obo/OAE_0001403 http://purl.obolibrary.org/obo/OAE_0000405 http://purl.obolibrary.org/obo/OAE_0000536 http://purl.obolibrary.org/obo/OAE_0000898 http://purl.obolibrary.org/obo/OAE_0000647 http://purl.obolibrary.org/obo/OAE_0000505 http://purl.obolibrary.org/obo/OAE_0000306 http://purl.obolibrary.org/obo/OAE_0000194 http://purl.obolibrary.org/obo/OAE_0001336 http://purl.obolibrary.org/obo/OAE_0000302 http://purl.obolibrary.org/obo/OAE_0000404 http://purl.obolibrary.org/obo/OAE_0001152 http://purl.obolibrary.org/obo/OAE_0001205 http://purl.obolibrary.org/obo/OAE_0000385 http://purl.obolibrary.org/obo/OAE_0000185 http://purl.obolibrary.org/obo/OAE_0000491 http://purl.obolibrary.org/obo/OAE_0000468 http://purl.obolibrary.org/obo/OAE_0001305 http://purl.obolibrary.org/obo/OAE_0000602 http://purl.obolibrary.org/obo/OAE_0000487 http://purl.obolibrary.org/obo/OAE_0000421 http://purl.obolibrary.org/obo/OAE_0000800 http://purl.obolibrary.org/obo/OAE_0000516 http://purl.obolibrary.org/obo/OAE_0001147 http://purl.obolibrary.org/obo/OAE_0000779 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_0000470 http://purl.obolibrary.org/obo/OAE_0001291 http://purl.obolibrary.org/obo/OAE_0000565 http://purl.obolibrary.org/obo/OAE_0001345 http://purl.obolibrary.org/obo/OAE_0001001 http://purl.obolibrary.org/obo/OAE_0000501 http://purl.obolibrary.org/obo/OAE_0001166 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_0001263 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_0001309 http://purl.obolibrary.org/obo/OAE_0000716 http://purl.obolibrary.org/obo/OAE_0001170 http://purl.obolibrary.org/obo/OAE_0001035 http://purl.obolibrary.org/obo/OAE_0000766 http://purl.obolibrary.org/obo/OAE_0000618 http://purl.obolibrary.org/obo/OAE_0001418 http://purl.obolibrary.org/obo/OAE_0000488 http://purl.obolibrary.org/obo/OAE_0000456 http://purl.obolibrary.org/obo/OAE_0001497 http://purl.obolibrary.org/obo/OAE_0001366 http://purl.obolibrary.org/obo/OAE_0000534 http://purl.obolibrary.org/obo/OAE_0001044 http://purl.obolibrary.org/obo/OAE_0001458 http://purl.obolibrary.org/obo/OAE_0000581 http://purl.obolibrary.org/obo/OAE_0000480 http://purl.obolibrary.org/obo/OAE_0000513 http://purl.obolibrary.org/obo/OAE_0001364 http://purl.obolibrary.org/obo/OAE_0000402 http://purl.obolibrary.org/obo/OAE_0001298 http://purl.obolibrary.org/obo/OAE_0000350 http://purl.obolibrary.org/obo/OAE_0000304 See more See less
has pharmacological target	http://purl.obolibrary.org/obo/dinto_1540
inhibits	http://purl.obolibrary.org/obo/dinto_1540
type	http://www.w3.org/2002/07/owl#Class
has role	http://purl.obolibrary.org/obo/CHEBI_38215 http://purl.obolibrary.org/obo/CHEBI_35623
InChIKey	InChIKey=AYXYPKUFHZROOJ-ZETCQYMHSA-N
AHFScode	28:12.92
Synonym	(S)-3-Isobutyl GABA Lyrica C8H17NO2 pregabalin (3S)-3-(aminomethyl)-5-methylhexanoic acid 3-Isobutyl GABA See more See less
xref	ChEBI:64356 CiteXplore:22431439 CiteXplore:22476240 National Drug Code Directory:0071-1012-68 BindingDB:50164279 Patent:EP1178034 CASRN:148553-50-8 CiteXplore:22473300 CiteXplore:22468635 DrugBank:DB00230 Reaxys:8404778 CiteXplore:22413436 PubChem Compound:5486971 Patent:EP2418194 CiteXplore:22404404 CiteXplore:22459341 CiteXplore:22415535 CiteXplore:22415534 Drugs Product Database (DPD):2268418 PubChem Substance:46504934 CiteXplore:22448469 ChemSpider:4589156 CiteXplore:22362672 Wikipedia:http://en.wikipedia.org/wiki/Pregabalin Patent:US6359169 KEGG DRUG:D02716 CiteXplore:22424859 CiteXplore:22345870 ChEMBL:236161 Patent:US2008311635 CiteXplore:22470326 Wikipedia:Pregabalin PharmGKB:PA164754814 CiteXplore:22449111 Drugs.com:http://www.drugs.com/cdi/pregabalin.html RxList:http://www.rxlist.com/cgi/generic/lyrica.htm CiteXplore:22366121 CiteXplore:22480279 CiteXplore:22473872 CiteXplore:22339078 See more See less
CASRN	148553-50-8
prefixIRI	obo2:CHEBI_64356
related with	http://purl.obolibrary.org/obo/dinto_1342
SMILES	CC(C)C[C@H](CN)CC(O)=O
may interact with	http://purl.obolibrary.org/obo/dinto_DB00427
DBname	pregabalin
InChI	InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1
DBBrand	lyrica
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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