lamotrigine   Click here for help

GtoPdb Ligand ID: 2622

Synonyms: Lamictal®
Approved drug
lamotrigine is an approved drug (FDA (1994))
Compound class: Synthetic organic
Comment: Lamotrigine is an anticonvulsant drug.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 90.71
Molecular weight 255.01
XLogP 1.99
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Nc1nnc(c(n1)N)c1cccc(c1Cl)Cl
Isomeric SMILES Nc1nnc(c(n1)N)c1cccc(c1Cl)Cl
InChI InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
InChI Key PYZRQGJRPPTADH-UHFFFAOYSA-N
Bioactivity Comments
We have been unable to find publicly available affinity data for this drug (at its proposed human targets) to substantiate its MMOA. For this reason, we have not tagged a primary drug target.
Selectivity at ion channels
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Nav1.2 Rn Channel blocker Pore blocker 4.5 pIC50 - 1-2
pIC50 4.5 [1-2]
Voltage: -50.0 mV