Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0E2PX
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| Former ID |
DNC003830
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| Drug Name |
E-4031
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| Synonyms |
E-4031; E 4031; 113558-89-7; CHEMBL327980; CHEBI:34732; 2-Methyl-6-(2-(4-(4-methylsulfonylamino)benzoylpiperidin-1-yl)ethyl)pyridine; Methanesulfonamide, N-(4-((1-(2-(6-methyl-2-pyridinyl)ethyl)-4-piperidinyl)carbonyl)phenyl)-; N-(4-((1-(2-(6-Methyl-2-pyridinyl)ethyl)-4-piperidinyl)carbonyl)phenyl)methanesulfonamide; N-[4-[1-[2-(6-methylpyridin-2-yl)ethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide; E4031; N-(4-(1-(2-(6-methylpyridin-2-yl)ethyl)piperidine-4-carbonyl)phenyl)methanesulfonamide; Tocris-1808; AC1Q6VTV
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| Drug Type |
Small molecular drug
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| Indication | Cardiac arrhythmias [ICD-11: BC9Z; ICD-9: 427] | Discontinued in Phase 2 | [1], [2] | |
| Structure |
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Download2D MOL
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| Formula |
C21H29Cl2N3O3S
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| Canonical SMILES |
CC1=NC(=CC=C1)CCN2CCC(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C.Cl.Cl
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| InChI |
1S/C21H27N3O3S.2ClH/c1-16-4-3-5-19(22-16)12-15-24-13-10-18(11-14-24)21(25)17-6-8-20(9-7-17)23-28(2,26)27;;/h3-9,18,23H,10-15H2,1-2H3;2*1H
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| InChIKey |
ZQBNWMFBOSOOLX-UHFFFAOYSA-N
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| CAS Number |
CAS 113559-13-0
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| PubChem Compound ID | ||||
| PubChem Substance ID |
854021, 6378859, 8152028, 11114222, 11120253, 11120741, 11121229, 11121378, 11121858, 11362447, 11365009, 11367571, 11370165, 11370166, 11373172, 11375733, 14805888, 26752248, 26752249, 29222327, 47588784, 48110228, 50067518, 50070460, 50071103, 50104961, 57321652, 76866857, 85787714, 87350380, 92309729, 99300643, 103305709, 103838170, 104011334, 104302774, 117631975, 129279451, 134341035, 135071375, 135650215, 137142512, 137877149, 179149618, 221672822, 223442359, 228302012, 252455453
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Potassium channel unspecific (KC) | Target Info | Modulator | [3] |
| References | Top | |||
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| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2605). | |||
| REF 2 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800000439) | |||
| REF 3 | Comparison of the IKr blockers moxifloxacin, dofetilide and E-4031 in five screening models of pro-arrhythmia reveals lack of specificity of isolated cardiomyocytes.Br J Pharmacol.2012 Jan;165(2):467-78. | |||
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