Drug Information

Drug General Information
Drug ID
D02ZKA
Former ID
DNC004403
Drug Name
DESMETHEYLASTEMIZOLE
Drug Type
Small molecular drug
Indication Discovery agent Investigative [526678]
Structure
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2D MOL

3D MOL
Formula
C27H29FN4O
Canonical SMILES
C1CN(CCC1NC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F)CCC5=CC=C(C=<br />C5)O
InChI
1S/C27H29FN4O/c28-22-9-5-21(6-10-22)19-32-26-4-2-1-3-25(26)30-27(32)29-23-14-17-31(18-15-23)16-13-20-7-11-24(33)12-8-20/h1-12,23,33H,13-19H2,(H,29,30)
InChIKey
LAGYWHSFHIMTPE-UHFFFAOYSA-N
PubChem Compound ID
155805
Target and Pathway
Target(s) Potassium voltage-gated channel subfamily H member 2 Target Info Inhibitor [526678]
PathWhiz Pathway Muscle/Heart Contraction
Reactome Voltage gated Potassium channels
WikiPathways SIDS Susceptibility Pathways
Hematopoietic Stem Cell Differentiation
Potassium Channels
References
Ref 526678Bioorg Med Chem Lett. 2003 Aug 18;13(16):2773-5.Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.
Ref 526678Bioorg Med Chem Lett. 2003 Aug 18;13(16):2773-5.Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.

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