| Compound Information | SONAR Target prediction |
| Name: | Lamotrigine |
| Unique Identifier: | LOPAC 01311 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C9Cl2H7N5 |
| Molecular Weight: | 249.035 g/mol |
| X log p: | 6.666 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 37.08 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 5 |
| Rotatable Bond Count: | 1 |
| Canonical Smiles: | Nc1nnc(c(N)n1)c1cccc(Cl)c1Cl |
| Class: | Anticonvulsant |
| Generic_name: | Lamotrigine |
| Chemical_iupac_name: | 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA450164 |
| Kegg_compound_id: | C07066 |
| Drugbank_id: | APRD00570 |
| Melting_point: | 216-218 oC (uncorr) |
| Logp: | 1.497 |
| Cas_registry_number: | 84057-84-1 |
| Drug_category: | Antimanic Agents; Antidepressants; Anticonvulsants; Analgesics; Calcium Channel Blockers; Excitatory Amino Acid Antagonists; ATC:N03AX09 |
| Indication: | For the adjunctive treatment of partial seizures in epilepsy and generalized seizures of Lennox-Gastaut syndrome; For the maintenance treatment of Bipolar I Disorder |
| Pharmacology: | Lamotrigine, an antiepileptic drug (AED) of the phenyltriazine class, is chemically unrelated to existing antiepileptic drugs. Lamotrigine is also used in the treatment of depression and bipolar disorder. Lamotrigine is thought to exert its anticonvulsant effect by stabilizing presynaptic neuronal membranes. Lamotrigine inhibits sodium currents by selectively binding to the inactivated state of the sodium channel and subsequently suppresses the release of the excilatory amino acid, glutamate. |
| Mechanism_of_action: | One proposed mechanism of action of Lamotrigine, the relevance of which remains to be established in humans, involves an effect on sodium channels. in vitro pharmacological studies suggest that lamotrigine inhibits voltage-sensitive sodium channels, thereby stabilizing neuronal membranes and consequently modulating presynaptic transmitter release of excitatory amino acids (e.g., glutamate and aspartate). |
| Organisms_affected: | Humans and other mammals |
| Found: 24 nonactive as graph: single | with analogs | 1 2 3 4 5 6 7 8 9 10 Next >> [24] |
| Species: | 4932 |
| Condition: | BY4741 |
| Replicates: | 8 |
| Raw OD Value: r im | 0.7599±0.0622135 |
| Normalized OD Score: sc h | 0.9821±0.0203832 |
| Z-Score: | -0.5760±0.575704 |
| p-Value: | 0.565856 |
| Z-Factor: | -21.4842 |
| Fitness Defect: | 0.5694 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 1 |
| 3878 | 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 2363 | Additional Members: 2 | Rows returned: 0 |
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