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]

• ATC Code:
  L04AA37: Baricitinib
  L04AA: Selective immunosuppressants
  L04A: IMMUNOSUPPRESSANTS
  L04: IMMUNOSUPPRESSANTS
  L: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
• Drug Type: Small molecular drug
• #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: CHEMBL2105759
  CAS Number: 1187594-09-7
  UNII: ISP4442I3Y
  DrugBank ID: DB11817
  TTD ID: D0Y7IC
  VARIDT ID: DR00322
  INTEDE ID: DR2502
  ACDINA ID: D00859
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug
• Drug Pharmacogenomic Perturbation (DPP)NEW: Click to Jump to the Detailed DPP Information of This Drug
• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE 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
Cyclin-G-associated kinase (GAK)	OTLM5H4P	GAK_HUMAN	Gene/Protein Processing	[8]

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

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

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.".