Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00226
|
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| Drug Name |
Saxagliptin
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| Synonyms |
(1S,5S)-2-[2-amino-2-(3-hydroxy-1-adamantyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile; 2-Azabicyclo[3.1.0]hexane-3-carbonitrile, 2-[(2S)-amino(3-hydroxytricyclo[3.3; BMS 477118-11; BMS-477118; BMS-477118-11; Kombiglyze XR (TN); OPC-262; Onglyza; Onglyza (TN)
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| Drug Type |
Small molecular drug
|
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| Indication | Type 2 diabetes [ICD11:5A11] | Approved | [1] | |||
| Structure |
|
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| 3D MOL | 2D MOL | |||||
| Formula |
C18H25N3O2
|
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| Canonical SMILES |
C1C2CC2N(C1C#N)C(=O)C(C34CC5CC(C3)CC(C5)(C4)O)N
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| InChI |
InChI=1S/C18H25N3O2/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17/h10-15,23H,1-7,9,20H2/t10?,11?,12-,13+,14+,15-,17?,18?/m1/s1
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| InChIKey |
QGJUIPDUBHWZPV-SGTAVMJGSA-N
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| CAS Number |
CAS 361442-04-8
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| Pharmaceutical Properties | Molecular Weight | 315.4 | Topological Polar Surface Area | 90.4 | ||
| Heavy Atom Count | 23 | Rotatable Bond Count | 2 | |||
| Hydrogen Bond Donor Count | 2 | Hydrogen Bond Acceptor Count | 4 | |||
| XLogP |
0.7
|
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| PubChem CID | ||||||
| PubChem SID |
103500900
,104096574
,104253199
,121147387
,121362351
,123051077
,124758670
,124772084
,126618190
,126644889
,136340362
,137251549
,139567127
,144076400
,144206461
,152035966
,160655903
,160967860
,162011574
,162164961
,16328544
,16675586
,175267813
,175610961
,178102934
,184811995
,223668663
,223705237
,224543974
,225361148
,226407286
,23422497
,246280642
,251970941
,252154978
,252447400
,42323525
,46512075
,57304394
,75512904
,92722527
,96025679
,99443245
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| ChEBI ID |
CHEBI:71272
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | MRP1 | Transporter Info | Multidrug resistance-associated protein 1 | Substrate | [2] | |
| OAT3 | Transporter Info | Organic anion transporter 3 | Substrate | [3] | ||
| OATP4C1 | Transporter Info | Organic anion transporting polypeptide 4C1 | Substrate | [3] | ||
| P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [4] | ||
| References | ||||||
| 1 | Linagliptin was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Dipeptidylpeptidase-4 inhibitors (gliptins): focus on drug-drug interactions. Clin Pharmacokinet. 2010 Sep;49(9):573-88. | |||||
| 3 | Comparative clinical pharmacokinetics of dipeptidyl peptidase-4 inhibitors. Clin Pharmacokinet. 2012 Aug 1;51(8):501-14. | |||||
| 4 | Tarascon Pocket Pharmacopoeia 2018 Classic Shirt-Pocket Edition. | |||||
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