| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 16 | Yes |
Popular Name: Lamotrigine Lamotrigine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 113170-86-8 , 84057-84-1 , [84057-84-1]
1,2,4-Triazine-3,5-diamine, 6-(2,3-dichlorophenyl)-
3,5-diamino-6-(2,3-dichlorophenyl)- as -triazine
3,5-Diamino-6-(2,3-dichlorophenyl)-1,2,4-triazine
3,5-Diamino-6-(2,3-dichlorophenyl)-as-triazine
6-(2,3-Dichloro-phenyl)-[1,2,4]triazine-3,5-diamine
6-(2,3-Dichlorophenyl)-1,2,4-triazine-3,5-diamine
6-(2,3-DICHLOROPHENYL)-1,2,4-TRIAZINE-3,5-DIAMINE ISETHIONATE
6-(2,3-Dichlorophenyl)-1,2,4-triazine-3,5-diyldiamine
84057-84-1; D00354; Lamictal (TN); Lamotrigine (JAN/USAN/INN)
CPD000058464; LAMOTRIGINE; SAM001246697
Glaxo Wellcome Brand of Lamotrigine
GlaxoSmithKline Brand of Lamotrigine
GW 273293;Lamotrigina [Spanish];Lamotriginum [Latin]
Hydroxymethyl progesterone, 97%+
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.04 | 4.34 | -11.23 | 4 | 5 | 0 | 91 | 256.096 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.04 | 4.52 | -30.43 | 5 | 5 | 1 | 92 | 257.104 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| biological_use | Anticonvulsant | ZereneX Building Blocks |
| mechanism | . | ZereneX Building Blocks |
| ALOGPS_SOLUBILITY | 4.88e-01 g/l | DrugBank-approved |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 97% | APIChem |
| biological_use | Anticonvulsant | IBScreen Bioactives |
| Indications | anticonvulsant, bipolar disorder | KeyOrganics Bioactives |
| biological_use | Anticonvulsant | IBScreen Bioactives |
| Indications | epilepsy, bipolar disorder | KeyOrganics Bioactives |
| mechanism | Inhibits release of excitatory amino acids via blockage of neuronal voltage-dependent sodium channels | IBScreen Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP01130l | NIH Clinical Collection via PubChem |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP01130l | NIH Clinical Collection via PubChem |
| Target | Sodium Channel | Selleck Chemicals |
| biological_use | Used in the treatment of epilepsy and bipolar disorder | IBScreen Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SCN2A-1-E | Sodium Channel Protein Type II Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10000 | 0.44 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SCN2A_HUMAN | Q99250 | Sodium Channel Protein Type II Alpha Subunit, Human | 10000 | 0.44 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Interaction between L1 and Ankyrins |
