Details of the Drug

General Information of Drug (ID: DM32B5U)

• Drug Name: Upadacitinib
• Synonyms: ABT-494

Indication

Disease Entry	ICD 11	Status	REF
Rheumatoid arthritis	FA20	Approved	[1]
Psoriatic arthritis	FA21	Phase 3	[2]
Atopic dermatitis	EA80	Phase 2	[2]
Crohn disease	DD70	Phase 2	[3]
Ulcerative colitis	DD71	Phase 2	[3]

• Affected Organisms: Humans and other mammals
• ATC Code:
  L04AA44: Upadacitinib
  L04AA: Selective immunosuppressants
  L04A: IMMUNOSUPPRESSANTS
  L04: IMMUNOSUPPRESSANTS
  L: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 380.4
  Logarithm of the Partition Coefficient (xlogp); 2.7
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C17H19F3N6O
  IUPAC Name: (3S,4R)-3-ethyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
  Canonical SMILES: CC[C@@H]1CN(C[C@@H]1C2=CN=C3N2C4=C(NC=C4)N=C3)C(=O)NCC(F)(F)F
  InChI: InChI=1S/C17H19F3N6O/c1-2-10-7-25(16(27)24-9-17(18,19)20)8-11(10)13-5-22-14-6-23-15-12(26(13)14)3-4-21-15/h3-6,10-11,21H,2,7-9H2,1H3,(H,24,27)/t10-,11+/m1/s1
  InChIKey: WYQFJHHDOKWSHR-MNOVXSKESA-N
• Cross-matching ID:
  PubChem CID: 58557659
  CAS Number: 1310726-60-3
  UNII: 4RA0KN46E0
  DrugBank ID: DB15091
  TTD ID: D07JAG
  ACDINA ID: D01513
• 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	[1]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4) Main DME	DE4LYSA	CP3A4_HUMAN	Substrate	[4]
Cytochrome P450 2D6 (CYP2D6)	DECB0K3	CP2D6_HUMAN	Substrate	[4]

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
Janus kinase 1 (JAK-1)	DTT	JAK1	6.35E-07	-0.28	-1.07
Cytochrome P450 2D6 (CYP2D6)	DME	CYP2D6	2.22E-02	-2.51E-02	-2.94E-01
Cytochrome P450 3A4 (CYP3A4)	DME	CYP3A4	2.87E-01	-7.38E-02	-6.14E-01

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Disease Different from Upadacitinib (Comorbidity)

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Comorbidity	REF
Berotralstat	DMWA2DZ	Moderate	Decreased metabolism of Upadacitinib caused by Berotralstat mediated inhibition of CYP450 enzyme.	Innate/adaptive immunodeficiency [4A00]	[5]
Selpercatinib	DMZR15V	Moderate	Decreased metabolism of Upadacitinib caused by Selpercatinib mediated inhibition of CYP450 enzyme.	Lung cancer [2C25]	[6]

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
Ferrosoferric oxide	E00231	14789	Colorant
Hypromellose	E00634	Not Available	Coating agent
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
Talc	E00520	16211421	Anticaking agent; Diluent; Glidant; lubricant
Tartaric acid	E00029	875	Acidulant; Complexing agent; Flavoring agent
Titanium dioxide	E00322	26042	Coating agent; Colorant; Opacifying agent
Haematite red	E00236	14833	Colorant
Hydrophobic colloidal silica	E00285	24261	Anticaking agent; Emulsion stabilizing agent; Glidant; Suspending agent; Viscosity-controlling agent
Cellulose microcrystalline	E00698	Not Available	Adsorbent; Suspending agent; Diluent

Pharmaceutical Formulation

Formulation Name	Drug Dosage	Dosage Form	Route
Upadacitinib 15 mg Extended-Release tablet	15 mg	Extended-Release Tablet	Oral

Jump to Detail Pharmaceutical Formulation Page of This Drug

References

• [1] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2019
• [2] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [3] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [4] Population pharmacokinetics of upadacitinib using the immediate-release and extended-release formulations in healthy subjects and subjects with rheumatoid arthritis: analyses of phase I-III clinical trials. Clin Pharmacokinet. 2019 Aug;58(8):1045-1058.
• [5] Product Information. Rinvoq (upadacitinib). AbbVie US LLC, North Chicago, IL.
• [6] Product Information. Retevmo (selpercatinib). Lilly, Eli and Company, Indianapolis, IN.