Drug Information

Drug General Information
Drug ID
D0C9UF
Former ID
DNC000539
Drug Name
Desmethylastemizole
Drug Type
Small molecular drug
Indication Discovery agent Phase 2 [528285]
Structure
Download
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
CAS Number
CAS 73736-50-2
PubChem Compound ID
155805
PubChem Substance ID
10252754, 11538011, 15379663, 46231728, 50164560, 57348207, 96099814, 103247839, 104022591, 104442275, 126443278, 128460301, 134339942, 134341608, 135111389, 137606696, 162260518, 163137036, 164839349, 179323459, 198977263, 224821588, 227390776
Target and Pathway
Target(s) Potassium voltage-gated channel subfamily H member 2 Target Info Blocker [534874]
PathWhiz Pathway Muscle/Heart Contraction
Reactome Voltage gated Potassium channels
WikiPathways SIDS Susceptibility Pathways
Hematopoietic Stem Cell Differentiation
Potassium Channels
References
Ref 528285A clinical drug library screen identifies astemizole as an antimalarial agent. Nat Chem Biol. 2006 Aug;2(8):415-6. Epub 2006 Jul 2.
Ref 534874Block of HERG potassium channels by the antihistamine astemizole and its metabolites desmethylastemizole and norastemizole. J Cardiovasc Electrophysiol. 1999 Jun;10(6):836-43.

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