Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00166
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| Drug Name |
Edoxaban
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| Synonyms |
Edoxaban
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| Drug Type |
Small molecular drug
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| Indication | Atrial fibrillation [ICD11:BC81.3] | Approved | [1] | |||
| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C24H30ClN7O4S
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| Canonical SMILES |
CN1CCC2=C(C1)SC(=N2)C(=O)NC3CC(CCC3NC(=O)C(=O)NC4=NC=C(C=C4)Cl)C(=O)N(C)C
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| InChI |
InChI=1S/C24H30ClN7O4S/c1-31(2)24(36)13-4-6-15(27-20(33)21(34)30-19-7-5-14(25)11-26-19)17(10-13)28-22(35)23-29-16-8-9-32(3)12-18(16)37-23/h5,7,11,13,15,17H,4,6,8-10,12H2,1-3H3,(H,27,33)(H,28,35)(H,26,30,34)/t13-,15-,17+/m0/s1
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| InChIKey |
HGVDHZBSSITLCT-JLJPHGGASA-N
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| CAS Number |
CAS 912273-65-5
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| Pharmaceutical Properties | Molecular Weight | 548.1 | Topological Polar Surface Area | 165 | ||
| Heavy Atom Count | 37 | Rotatable Bond Count | 5 | |||
| Hydrogen Bond Donor Count | 3 | Hydrogen Bond Acceptor Count | 8 | |||
| XLogP |
1.4
|
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| PubChem CID | ||||||
| PubChem SID |
109693269
,123092995
,123107846
,124490450
,135263753
,141477305
,152343994
,15285745
,162198449
,163409416
,163620696
,163686010
,163909302
,170502825
,172096222
,172121849
,185988955
,198981897
,198992538
,223365911
,223397933
,223922733
,22657909
,226666786
,249273064
,249736672
,249865853
,252090008
,252150280
,252451702
,252552142
,35552742
,75383420
|
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| ChEBI ID |
ChEBI:85973
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [2] | |
| References | ||||||
| 1 | Edoxaban was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Edoxaban drug-drug interactions with ketoconazole, erythromycin, and cyclosporine. Br J Clin Pharmacol. 2016 Dec;82(6):1591-1600. | |||||
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