Details of the Drug

General Information of Drug (ID: DM4ONW5)

Drug Name
Baricitinib
Synonyms Baricitinib (LY3009104, INCB028050); Baricitinib [USAN:INN]; C16H17N7O2S; INCB 028050; INCB-028050; INCB028050; ISP4442I3Y; J-503551; LY-3009104; LY3009104; Olumiant (TN); UNII-ISP4442I3Y; olumiant
Indication
Disease Entry ICD 11 Status REF
Rheumatoid arthritis FA20 Approved [1]
Coronavirus Disease 2019 (COVID-19) 1D6Y Phase 3 [2]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 371.4
Logarithm of the Partition Coefficient (xlogp) -0.5
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C16H17N7O2S
IUPAC Name
2-[1-ethylsulfonyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile
Canonical SMILES
CCS(=O)(=O)N1CC(C1)(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3
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)
InChIKey
XUZMWHLSFXCVMG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44205240
ChEBI ID
CHEBI:95341
CAS Number
1187594-09-7
DrugBank ID
DB11817
TTD ID
D0Y7IC
VARIDT ID
DR00322
INTEDE ID
DR2502
ACDINA ID
D00859
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Janus kinase 1 (JAK-1) TT6DM01 JAK1_HUMAN Modulator [3]
Janus kinase 2 (JAK-2) TTRMX3V JAK2_HUMAN Modulator [3]
Tyrosine-protein kinase (PTK) TTJSQEF NOUNIPROTAC Inhibitor [1]
HUMAN adaptor-associated kinase 1 (AAK1) TTN9A16 AAK1_HUMAN Inhibitor [4]
HUMAN cyclin G-associated kinase (GAK) TT0AGBL GAK_HUMAN Inhibitor [4]

Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Breast cancer resistance protein (ABCG2) DTI7UX6 ABCG2_HUMAN Substrate [5]
P-glycoprotein 1 (ABCB1) DTUGYRD MDR1_HUMAN Substrate [6]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4)
Main DME 		DE4LYSA CP3A4_HUMAN Substrate [7]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
AP2-associated protein kinase 1 (AAK1) OTK9B9QT AAK1_HUMAN Gene/Protein Processing [8]
Cyclin-G-associated kinase (GAK) OTLM5H4P GAK_HUMAN Gene/Protein Processing [8]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Rheumatoid arthritis
ICD Disease Classification FA20
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
P-glycoprotein 1 (ABCB1) DTP P-GP 7.23E-01 -8.20E-02 -3.22E-01
Breast cancer resistance protein (ABCG2) DTP BCRP 9.93E-01 -1.09E-01 -5.77E-01
Cytochrome P450 3A4 (CYP3A4) DME CYP3A4 9.85E-01 2.24E-02 7.33E-02
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Disease Different from Baricitinib (Comorbidity)
DDI Drug Name DDI Drug ID Severity Mechanism Comorbidity REF
Siponimod DM2R86O Major Additive immunosuppressive effects by the combination of Baricitinib and Siponimod. Multiple sclerosis [8A40] [9]
Ozanimod DMT6AM2 Major Additive immunosuppressive effects by the combination of Baricitinib and Ozanimod. Multiple sclerosis [8A40] [10]

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG
DIG Name DIG ID PubChem CID Functional Classification
Mannitol E00103 6251 Diluent; Flavoring agent; Lyophilization aid; Plasticizing agent; Tonicity agent
Carmellose sodium E00625 Not Available Disintegrant
Magnesium stearate E00208 11177 lubricant
Polyethylene glycol 4000 E00654 Not Available Coating agent; Diluent; Ointment base; Plasticizing agent; Solvent; Suppository base; lubricant
Polyvinyl alcohol E00666 Not Available Coating agent; Emulsion stabilizing agent; Film/Membrane-forming agent
Soybean lecithin E00637 Not Available Other agent
Talc E00520 16211421 Anticaking agent; Diluent; Glidant; lubricant
Titanium dioxide E00322 26042 Coating agent; Colorant; Opacifying agent
Haematite red E00236 14833 Colorant
Cellulose microcrystalline E00698 Not Available Adsorbent; Suspending agent; Diluent
⏷ Show the Full List of 10 Pharmaceutical Excipients of This Drug
Pharmaceutical Formulation
Formulation Name Drug Dosage Dosage Form Route
Baricitinib 1 mg tablet 1 mg Tablet Oral
Baricitinib 2 mg tablet 2 mg Tablet Oral
Jump to Detail Pharmaceutical Formulation Page of This Drug

References

1 2018 FDA drug approvals.Nat Rev Drug Discov. 2019 Feb;18(2):85-89.
2 ClinicalTrials.gov (NCT04345289) Efficacy and Safety of Novel Treatment Options for Adults With COVID-19 Pneumonia. U.S. National Institutes of Health.
3 Selective JAK inhibitors in development for rheumatoid arthritis. Expert Opin Investig Drugs. 2014 Aug;23(8):1067-77.
4 Baricitinib as potential treatment for 2019-nCoV acute respiratory disease. Lancet. 2020 Feb 15;395(10223):e30-e31.
5 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.
6 Prediction of Transporter-Mediated Drug-Drug Interactions for Baricitinib. Clin Transl Sci. 2017 Nov;10(6):509-519.
7 FDA label of Baricitinib. The 2020 official website of the U.S. Food and Drug Administration.
8 COVID-19: combining antiviral and anti-inflammatory treatments. Lancet Infect Dis. 2020 Apr;20(4):400-402. doi: 10.1016/S1473-3099(20)30132-8. Epub 2020 Feb 27.
9 Cerner Multum, Inc. "Australian Product Information.".
10 Cerner Multum, Inc. "UK Summary of Product Characteristics.".