loading...| Preferred Name |
pregabalin |
|
| Synonyms |
(3S)-3-(aminomethyl)-5-methylhexanoic acid (S)-3-Isobutyl GABA Lyrica pregabalin 3-Isobutyl GABA |
|
| 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 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:22473300 KEGG:D02716 Patent:EP1178034 PMID:22424859 PMID:22476240 DrugBank:DB00230 PMID:22459341 Reaxys:8404778 CAS:148553-50-8 Patent:EP2418194 PMID:22448469 PMID:22366121 PMID:22339078 PMID:22345870 PMID:22404404 PMID:22468635 Patent:US6359169 PMID:22470326 PMID:22362672 Patent:US2008311635 PMID:22480279 Wikipedia:Pregabalin PMID:22473872 PMID:22415535 PMID:22413436 PMID:22431439 PMID:22449111 PMID:22415534 Drug_Central:2255 |
|
| 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. |
|
| formula |
C8H17NO2 |
|
| has functional parent | ||
| has role | ||
| has_exact_synonym |
(3S)-3-(aminomethyl)-5-methylhexanoic acid |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
(S)-3-Isobutyl GABA Lyrica pregabalin 3-Isobutyl GABA |
|
| id |
CHEBI:64356 |
|
| in_subset | ||
| 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 |
|
| prefLabel |
pregabalin |
|
| smiles |
CC(C)C[C@H](CN)CC(O)=O |
|
| treeView | ||
| subClassOf |