The Prescription of Drugs Ontology

Last uploaded: September 4, 2020
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Preferred Name

pregabalin
Synonyms

(S)-3-Isobutyl GABA

3-Isobutyl GABA

Lyrica

pregabalin

(3S)-3-(aminomethyl)-5-methylhexanoic acid
Definitions

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.
ID

http://purl.obolibrary.org/obo/CHEBI_64356
alternative term

(S)-3-Isobutyl GABA

3-Isobutyl GABA

Lyrica

pregabalin

(3S)-3-(aminomethyl)-5-methylhexanoic acid
bearer_of

http://purl.obolibrary.org/obo/CHEBI_38215

http://purl.obolibrary.org/obo/CHEBI_35623
charge

0
database_cross_reference

PMID:22415534

PMID:22415535

PMID:22362672

Drug_Central:2255

Patent:US2008311635

KEGG:D02716

PMID:22459341

PMID:22404404

PMID:22470326

PMID:22366121

Patent:EP2418194

PMID:22473872

DrugBank:DB00230

PMID:22431439

PMID:22468635

PMID:22413436

PMID:22448469

PMID:22339078

Wikipedia:Pregabalin

PMID:22345870

PMID:22473300

CAS:148553-50-8

PMID:22480279

Patent:US6359169

Reaxys:8404778

PMID:22424859

Patent:EP1178034

PMID:22476240

PMID:22449111
formula

C8H17NO2
has functional parent

http://purl.obolibrary.org/obo/CHEBI_16865
has role

http://purl.obolibrary.org/obo/CHEBI_38215

http://purl.obolibrary.org/obo/CHEBI_35623
has_exact_synonym

(3S)-3-(aminomethyl)-5-methylhexanoic acid
has_obo_namespace

chebi_ontology
has_related_synonym

(S)-3-Isobutyl GABA

3-Isobutyl GABA

Lyrica

pregabalin
has_RxCUI

187832
id

CHEBI:64356
in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR
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
inchikey

AYXYPKUFHZROOJ-ZETCQYMHSA-N
label

pregabalin
mass

159.22610
monoisotopicmass

159.12593
notation

CHEBI:64356
prefixIRI

CHEBI:64356
prefLabel

pregabalin
smiles

CC(C)C[C@H](CN)CC(O)=O
textual 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.
subClassOf

http://purl.obolibrary.org/obo/CHEBI_33707
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Delete Mapping To Ontology Source
http://purl.obolibrary.org/obo/CHEBI_64356 DRON SAME_URI
http://purl.obolibrary.org/obo/CHEBI_64356 FIDEO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_64356 DINTO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_64356 BERO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_64356 DDSS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_64356 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_64356 DRON SAME_URI
http://purl.bioontology.org/ontology/PDQ/CDR0000518288 PDQ LOOM
https://go.drugbank.com/drugs/DB00230 MDM LOOM
http://purl.obolibrary.org/obo/OMIT_0001495 OMIT LOOM
http://ontology.apa.org/apaonto/termsonlyOUT%20(5).owl#Pregabalin APAONTO LOOM
http://www.semanticweb.org/administrator/ontologies/2022/0/untitled-ontology-34#OWLClass6ac5698d_d681_45b1_9e60_746a2e4dbdbf WWECA LOOM
https://github.com/sap218/coid/blob/master/coid.owl#COID_00774 COID LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C080245 RH-MESH LOOM
http://purl.bioontology.org/ontology/ATC/N02BF02 ATC LOOM
http://stirdf.jst.go.jp/id/200907028608567595 IOBC LOOM
http://www.limics.fr/ontologies/ontoparonmed#Lyrica ONTOPARON LOOM
http://purl.obolibrary.org/obo/DRON_00017760 ODNAE LOOM
http://www.semanticweb.org/administrator/ontologies/2022/0/untitled-ontology-34#OWLClass3905e641_d161_430f_bf72_7cd666091ef5 WWECA LOOM
http://www.case.edu/EpSO.owl#Pregabalin MEPO LOOM
http://www.drugbank.ca/drugs/DB00230 FTC LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/415160008 SNOMEDCT LOOM
http://purl.bioontology.org/ontology/CPT/80366 CPT LOOM
http://purl.obolibrary.org/obo/CHEBI_64356 DRON LOOM
http://purl.obolibrary.org/obo/CHEBI_64356 FIDEO LOOM
http://purl.obolibrary.org/obo/CHEBI_64356 DINTO LOOM
http://purl.obolibrary.org/obo/CHEBI_64356 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_64356 DDSS LOOM
http://purl.obolibrary.org/obo/CHEBI_64356 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_64356 DRON LOOM
http://purl.bioontology.org/ontology/RXNORM/187832 RXNORM LOOM
http://purl.jp/bio/4/id/200906044331761773 IOBC LOOM
http://purl.bioontology.org/ontology/MESH/D000069583 MESH LOOM
https://bioportal.bioontology.org/ontologies/STMSO#Pregabalin STMSO LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0657912 OCHV LOOM
http://scai.fraunhofer.de/MSOntology#Pregabalin MSO LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C64625 NCIT LOOM
http://purl.bioontology.org/ontology/LNC/MTHU021880 LOINC LOOM
http://purl.bioontology.org/ontology/VANDF/4024924 VANDF LOOM
http://purl.obolibrary.org/obo/MESH_D000069583 BERO LOOM
http://purl.bioontology.org/ontology/NDDF/010083 NDDF LOOM
http://purl.obolibrary.org/obo/NCIT_C64625 BERO LOOM
http://purl.obolibrary.org/obo/NCIT_C64625 SCDO LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000023107 NDFRT LOOM
http://evs.nci.nih.gov/ftp1/NDF-RT/NDF-RT.owl#N0000023107 ODAE LOOM
http://purl.bioontology.org/ontology/LNC/LP61621-6 LOINC LOOM
http://www.phoc.org.cn/pmo/class/PMO_00016314 PMAPP-PMO LOOM
http://www.case.edu/EpilepsyOntology.owl#Pregabalin EPSO LOOM