Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00322
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| Drug Name |
Baricitinib
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| Synonyms |
1187594-09-7; Baricitinib (LY3009104, INCB028050); Baricitinib [USAN:INN]; C16H17N7O2S; INCB 028050; INCB-028050; INCB028050; ISP4442I3Y; J-503551; LY-3009104; LY3009104; Olumiant (TN); UNII-ISP4442I3Y; olumiant
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| Drug Type |
Small molecular drug
|
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| Indication | Psoriasis [ICD11:EA90] | Approved | [1] | |||
| Rheumatoid arthritis [ICD11:FA20] | Approved | [1] | ||||
| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C16H17N7O2S
|
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| Canonical SMILES |
CCS(=O)(=O)N1CC(C1)(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3
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| InChI |
InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20)
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| InChIKey |
XUZMWHLSFXCVMG-UHFFFAOYSA-N
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| CAS Number |
C16H17N7O2S
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| Pharmaceutical Properties | Molecular Weight | 371.4 | Topological Polar Surface Area | 129 | ||
| Heavy Atom Count | 26 | Rotatable Bond Count | 5 | |||
| Hydrogen Bond Donor Count | 1 | Hydrogen Bond Acceptor Count | 7 | |||
| XLogP |
-0.5
|
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| PubChem CID | ||||||
| PubChem SID |
103932354
,135313591
,136946415
,137856279
,144115683
,152258684
,160647521
,160703522
,162009736
,162011992
,162108950
,163312339
,164045123
,164194014
,170501894
,172087008
,172918187
,174006690
,174526483
,176250838
,185979207
,189561494
,198946894
,203105586
,208265518
,215785530
,223366123
,223375538
,223630418
,223705259
,224310310
,227140190
,244162815
,249733389
,249814474
,249816401
,252110203
,252160600
,252214958
,252443897
,252451786
,252553656
,85205106
,89960290
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| ChEBI ID |
CHEBI:95341
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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 | [3] | ||
| References | ||||||
| 1 | Baricitinib was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Differential Influence of the Antiretroviral Pharmacokinetic Enhancers Ritonavir and Cobicistat on Intestinal P-Glycoprotein Transport and the Pharmacokinetic/Pharmacodynamic Disposition of Dabigatran. Antimicrob Agents Chemother. 2017 Oct 24;61(11). pii: e01201-17. | |||||
| 3 | Prediction of Transporter-Mediated Drug-Drug Interactions for Baricitinib. Clin Transl Sci. 2017 Nov;10(6):509-519. | |||||
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