Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00331
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| Drug Name |
Sumatriptan
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| Synonyms |
(3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl)-N-methylmethanesulfonamide; 1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide; 1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methylmethanesulfonamide; 1-{3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}-N-methylmethanesulfonamide; 3-(2-(Dimethylamino)ethyl)-N-methyl-1H-indole-5-methanesulfonamide; 3-[2-(Dimethylamino)ethyl]-N-methyl-1H-indole-5-methanesulfonamide; 3-[2-(Dimethylamino)ethyl]-N-methylindole-5-methanesulfonamide; GR 43175; GR 43175X; GR-43175; Imigran; Imigran (TN); Imitrex; Imitrex (TN); KS-1116; NP101; Sumatran; Sumatriptan (JAN/USP/INN); Sumatriptanum; Sumatriptanum [INN-Latin]; Sumax
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| Drug Type |
Small molecular drug
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| Indication | Migraine Headaches [ICD11:8A80] | Approved | [1] | |||
| Therapeutic Class |
Vasoconstrictor Agents
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| Structure |
|
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| 3D MOL | 2D MOL | |||||
| Formula |
C14H21N3O2S
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| Canonical SMILES |
CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)C
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| InChI |
InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3
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| InChIKey |
KQKPFRSPSRPDEB-UHFFFAOYSA-N
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| CAS Number |
CAS 103628-46-2
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| Pharmaceutical Properties | Molecular Weight | 295.4 | Topological Polar Surface Area | 73.6 | ||
| Heavy Atom Count | 20 | Rotatable Bond Count | 6 | |||
| Hydrogen Bond Donor Count | 2 | Hydrogen Bond Acceptor Count | 4 | |||
| XLogP |
0.9
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| PubChem CID | ||||||
| PubChem SID |
103188807
,103919260
,104309008
,10502764
,119526324
,124799677
,125336887
,126525330
,126667002
,128419875
,134337534
,135018088
,135651095
,137002439
,142467611
,144205081
,14718471
,14825017
,152034343
,160964014
,162182413
,164814822
,165699400
,170465377
,172866507
,174006309
,175265694
,25819952
,26612933
,26749855
,29224410
,46506520
,48334598
,48416587
,49679316
,49984205
,50107736
,50422744
,53790264
,56322605
,5634131
,57322735
,7847517
,7980713
,81040912
,8153293
,85209322
,85789242
,93166406
,9527
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| ChEBI ID |
ChEBI:10650
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | 1-Oct | Transporter Info | Organic cation transporter 1 | Substrate | [2] | |
| P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [3] | ||
| References | ||||||
| 1 | Sumatriptan was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Identification of novel substrates and structure-activity relationship of cellular uptake mediated by human organic cation transporters 1 and 2. J Med Chem. 2013 Sep 26;56(18):7232-42. | |||||
| 3 | HT29-MTX and Caco-2/TC7 monolayers as predictive models for human intestinal absorption: role of the mucus layer. J Pharm Sci. 2001 Oct;90(10):1608-19. Comparative Study | |||||
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