tiagabine (gabitril) Report issue

Small molecule Approved FDA
AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

375.56

ALogP

5.04

Rule of 5

No

Rule of 3

No
Details
  • SMILES: Cc1ccsc1C(=CCCN1CCC[C@@H](C(=O)O)C1)c1sccc1C
  • InChIKey: PBJUNZJWGZTSKL-MRXNPFEDSA-N
    InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1027   ChEMBL
tiagabine *

CHEMBL1695   ChEMBL
tiagabine hydrochloride

Z80I64HMNP   NCATS
tiagabine *

Tiagabine   Wikipedia

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