Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0C9UF
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| Former ID |
DNC000539
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| Drug Name |
Desmethylastemizole
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| Synonyms |
O-Desmethyl Astemizole; 73736-50-2; UNII-L460QHM1YN; L460QHM1YN; CHEMBL60796; Demethylastemizole; 4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]phenol; Desmethylasteizole; R-44-271; R 44 271; O-Demethylastemizole; O-Desmethylastemizole; AC1L4F06; SCHEMBL1152697; CTK8G2140; DTXSID10224058; LAGYWHSFHIMTPE-UHFFFAOYSA-N; ZINC13537287; BDBM50131433; AKOS030240026; Phenol, 4-(2-(4-((1-((4-fluorophenyl)methyl)-1H-benzimidazol-2-yl)amino)-1-piperidinyl)ethyl)-; FT-0666079; R 44271; DESMETHEYLASTEMIZOLE
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C27H29FN4O
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| Canonical SMILES |
C1CN(CCC1NC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F)CCC5=CC=C(C=C5)O
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| 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)
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| InChIKey |
LAGYWHSFHIMTPE-UHFFFAOYSA-N
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| CAS Number |
CAS 73736-50-2
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Voltage-gated potassium channel Kv11.1 (KCNH2) | Target Info | Blocker | [1], [2] |
| Pathwhiz Pathway | Muscle/Heart Contraction | |||
| Reactome | Voltage gated Potassium channels | |||
| WikiPathways | SIDS Susceptibility Pathways | |||
| Hematopoietic Stem Cell Differentiation | ||||
| Potassium Channels | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods. Bioorg Med Chem Lett. 2003 Aug 18;13(16):2773-5. | |||
| REF 2 | Block 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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