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CHEBI:42797 - gabapentin
| Formula | C9H17NO2 |
| Net Charge | 0 |
| Average Mass | 171.240 |
| Monoisotopic Mass | 171.12593 |
| SMILES | NCC1(CC(=O)O)CCCCC1 |
| InChI | InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12) |
| InChIKey | UGJMXCAKCUNAIE-UHFFFAOYSA-N |
| Wikipedia |
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| Roles Classification |
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| Chemical Roles: | environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | anti-HIV agent An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus. calcium channel blocker One of a class of drugs that acts by selective inhibition of calcium influx through cell membranes or on the release and binding of calcium in intracellular pools. analgesic An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. immunosuppressive agent An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response. xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. |
| Applications: | anticonvulsant A drug used to prevent seizures or reduce their severity. vulnerary A drug used in treating and healing of wounds. anxiolytic drug Anxiolytic drugs are agents that alleviate anxiety, tension, and anxiety disorders, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions. analgesic An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. immunosuppressive agent An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response. anti-anaemic agent A compound which increases either the number of red cells or the amount of haemoglobin in the blood. neuroprotective agent Any compound that can be used for the treatment of neurodegenerative disorders. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. antipsychotic agent Antipsychotic drugs are agents that control agitated psychotic behaviour, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect. antidepressant Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions. hepatoprotective agent Any compound that is able to prevent damage to the liver. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| gabapentin (CHEBI:42797) has functional parent γ-aminobutyric acid (CHEBI:16865) |
| gabapentin (CHEBI:42797) has role analgesic (CHEBI:35480) |
| gabapentin (CHEBI:42797) has role anti-anaemic agent (CHEBI:75835) |
| gabapentin (CHEBI:42797) has role anti-HIV agent (CHEBI:64946) |
| gabapentin (CHEBI:42797) has role anticonvulsant (CHEBI:35623) |
| gabapentin (CHEBI:42797) has role antidepressant (CHEBI:35469) |
| gabapentin (CHEBI:42797) has role antineoplastic agent (CHEBI:35610) |
| gabapentin (CHEBI:42797) has role antipsychotic agent (CHEBI:35476) |
| gabapentin (CHEBI:42797) has role anxiolytic drug (CHEBI:35474) |
| gabapentin (CHEBI:42797) has role calcium channel blocker (CHEBI:38215) |
| gabapentin (CHEBI:42797) has role environmental contaminant (CHEBI:78298) |
| gabapentin (CHEBI:42797) has role hepatoprotective agent (CHEBI:62868) |
| gabapentin (CHEBI:42797) has role immunosuppressive agent (CHEBI:35705) |
| gabapentin (CHEBI:42797) has role neuroprotective agent (CHEBI:63726) |
| gabapentin (CHEBI:42797) has role vulnerary (CHEBI:73336) |
| gabapentin (CHEBI:42797) has role xenobiotic (CHEBI:35703) |
| gabapentin (CHEBI:42797) is a γ-amino acid (CHEBI:33707) |
| Incoming Relation(s) |
| gabapentin enacarbil (CHEBI:68840) has functional parent gabapentin (CHEBI:42797) |
| IUPAC Name |
|---|
| [1-(aminomethyl)cyclohexyl]acetic acid |
| INNs | Source |
|---|---|
| gabapentin | KEGG DRUG |
| gabapentina | WHO MedNet |
| gabapentine | DrugBank |
| gabapentinum | DrugBank |
| Synonyms | Source |
|---|---|
| 1-(Aminomethyl)cyclohexaneacetic acid | ChemIDplus |
| CI-945 | ChEMBL |
| DM-1796 | ChEMBL |
| GOE 3450 | ChEMBL |
| GOE-3450 | ChEMBL |
| NSC-742194 | ChEMBL |
| Brand Names | Source |
|---|---|
| Gralise | ChEMBL |
| Neurontin | DrugBank |
| Manual Xrefs | Databases |
|---|---|
| 1264 | DrugCentral |
| 2975 | VSDB |
| D00332 | KEGG DRUG |
| DB00996 | DrugBank |
| EP1140793 | Patent |
| Gabapentin | Wikipedia |
| GBN | PDBeChem |
| HMDB0005015 | HMDB |
| LSM-5716 | LINCS |
| US2008103334 | Patent |
| US2008269326 | Patent |
| US2009043126 | Patent |
| US2009292138 | Patent |
| US2012046272 | Patent |
| WO2005037784 | Patent |
| WO2008060572 | Patent |
| WO2010023694 | Patent |
| Registry Numbers | Sources |
|---|---|
| Reaxys:2359739 | Reaxys |
| CAS:60142-96-3 | ChemIDplus |
| CAS:60142-96-3 | KEGG DRUG |
| Citations |
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