Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00279
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| Drug Name |
Canagliflozin
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| Synonyms |
(1S)-1,5-anhydro-1-(3-{[5-(4-fluorophenyl)-2-thienyl]methyl}-4-methylphenyl)-D-glucitol; (2S,3R,4R,5S,6R)-2-(3-((5-(4-FLUOROPHENYL)THIOPHEN-2-YL)METHYL)-4-METHYLPHENYL)-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-3,4,5-TRIOL; 1-(Glucopyranosyl)-4-methyl-3-(5-(4-fluorophenyl)-2-thienylmethyl)benzene; 6S49DGR869; 842133-18-0; 928672-86-0; CHEBI:73274; Canagliflozin anhydrous; Canagliflozin hydrate; Invokana; JNJ 24831754ZAE; JNJ-28431754; TA 7284; TA-7284; UNII-6S49DGR869; canagliflozin hemihydrate
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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 |
C24H25FO5S
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| Canonical SMILES |
CC1=C(C=C(C=C1)C2C(C(C(C(O2)CO)O)O)O)CC3=CC=C(S3)C4=CC=C(C=C4)F
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| InChI |
InChI=1S/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1
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| InChIKey |
XTNGUQKDFGDXSJ-ZXGKGEBGSA-N
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| CAS Number |
CAS 842133-18-0
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| Pharmaceutical Properties | Molecular Weight | 444.5 | Topological Polar Surface Area | 118 | ||
| Heavy Atom Count | 31 | Rotatable Bond Count | 5 | |||
| Hydrogen Bond Donor Count | 4 | Hydrogen Bond Acceptor Count | 7 | |||
| XLogP |
3.2
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| PubChem CID | ||||||
| PubChem SID |
125299338
,134358471
,135267033
,136023439
,136340353
,136367529
,136368011
,141631822
,144115779
,144224573
,152159581
,152258221
,160647057
,160695863
,160865968
,162011557
,162169318
,162205127
,164837687
,170500828
,172918748
,174530759
,175266021
,175427146
,178101303
,185964359
,196373210
,198993774
,202567714
,211535181
,223258907
,223471388
,223617458
,223705166
,224378424
,226521104
,248537044
,249737173
,250163176
,252109951
,252215091
,49811874
,57127075
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| ChEBI ID |
CHEBI:73274
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | BCRP | Transporter Info | Breast cancer resistance protein | Substrate | [2] | |
| P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [2] | ||
| References | ||||||
| 1 | Canagliflozin was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | In vitro and physiologically-based pharmacokinetic based assessment of drug-drug interaction potential of canagliflozin. Br J Clin Pharmacol. 2017 May;83(5):1082-1096. | |||||
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