Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D09IHN
|
|||
| Former ID |
DNC000674
|
|||
| Drug Name |
Gamma-acetylenic GABA
|
|||
| Synonyms |
gamma-Acetylenic gaba; 4-Aminohex-5-ynoic acid; gamma-Acetylinic GABA; 4-Amino-5-hexynoic acid; 57659-38-8; RMI 71645; 5-Hexynoic acid, 4-amino-; RMI-71645; 4-aminohexynoate; gamma-acetylenic-GABA; Acetylenic GABA-7; AC1L1FYW; 4-ami-nohex-5-ynoic acid; AC1Q5VT0; 4-Amino-hex-5-ynoic acid; Lopac0_000138; SCHEMBL690785; CHEMBL330129; 4-Amino-5-hexynoic acid, solid; CTK5A7233; BDBM81477; HMS3260K18; Tox21_500138; PDSP2_000141; PDSP1_000142; AKOS006272245; LP00138; CCG-204233; NCGC00015019-02; NCGC00093628-02; NCGC00260823-01
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C6H9NO2
|
|||
| Canonical SMILES |
C#CC(CCC(=O)O)N
|
|||
| InChI |
1S/C6H9NO2/c1-2-5(7)3-4-6(8)9/h1,5H,3-4,7H2,(H,8,9)
|
|||
| InChIKey |
BJNIHWSOVCDBHS-UHFFFAOYSA-N
|
|||
| CAS Number |
CAS 57659-38-8
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID |
5006225, 8152196, 14991980, 17404701, 24278145, 29222586, 47736697, 47810967, 48259451, 49976796, 50105869, 50105870, 50929439, 53777244, 57321809, 85083259, 85230888, 90341196, 92303419, 99233250, 103137657, 103302389, 104303557, 117548193, 121361022, 124749480, 124879068, 125641817, 127524869, 131342051, 132554872, 134223311, 135073038, 138763257, 162092894, 162875550, 163564092, 226984165
|
|||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | GABA transaminase (ABAT) | Target Info | Inhibitor | [1] |
| BioCyc | GABA shunt | |||
| Valine degradation | ||||
| Beta-alanine degradation | ||||
| 4-aminobutyrate degradation | ||||
| KEGG Pathway | Alanine, aspartate and glutamate metabolism | |||
| Valine, leucine and isoleucine degradation | ||||
| beta-Alanine metabolism | ||||
| Propanoate metabolism | ||||
| Butanoate metabolism | ||||
| Metabolic pathways | ||||
| GABAergic synapse | ||||
| Panther Pathway | Aminobutyrate degradation | |||
| Pyrimidine Metabolism | ||||
| Gamma-aminobutyric acid synthesis | ||||
| Pathwhiz Pathway | Aspartate Metabolism | |||
| Glutamate Metabolism | ||||
| Beta-Alanine Metabolism | ||||
| Valine, Leucine and Isoleucine Degradation | ||||
| Propanoate Metabolism | ||||
| WikiPathways | GABA synthesis, release, reuptake and degradation | |||
| Alanine and aspartate metabolism | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Treatment of Huntington disease with gamma-acetylenic GABA an irreversible inhibitor of GABA-transaminase: increased CSF GABA and homocarnosine without clinical amelioration. Neurology. 1981 Feb;31(2):207-11. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.