upadacitinib Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definition	Drug id	CAS RN
tyrosine kinase inhibitors	5346	1310726-60-3

Description:

Molecule	Description
Molfile Inchi Smiles Synonyms: upadacitinib hydrate upadacitinib ABT-494 rinvoq	Upadacitinib is a Janus kinase (JAK) inhibitor. JAKs are intracellular enzymes which transmit signals arising from cytokine or growth factor-receptor interactions on the cellular membrane to influence cellular processes of hematopoiesis and immune cell function. Within the signaling pathway, JAKs phosphorylate and activate Signal Transducers and Activators of Transcription (STATs) which modulate intracellular activity including gene expression. Upadacitinib modulates the signaling pathway at the point of JAKs, preventing the phosphorylation and activation of STATs. Molecular weight: 380.38 Formula: C17H19F3N6O CLOGP: 2.26 LIPINSKI: 0 HAC: 7 HDO: 2 TPSA: 78.32 ALOGS: -3.73 ROTB: 4 Status: ONP Legend: OFP - off patent OFM - off market ONP - on patent

Molecule

Description

Molfile Inchi Smiles

Synonyms:

upadacitinib hydrate
upadacitinib
ABT-494
rinvoq

Upadacitinib is a Janus kinase (JAK) inhibitor. JAKs are intracellular enzymes which transmit signals arising from cytokine or growth factor-receptor interactions on the cellular membrane to influence cellular processes of hematopoiesis and immune cell function. Within the signaling pathway, JAKs phosphorylate and activate Signal Transducers and Activators of Transcription (STATs) which modulate intracellular activity including gene expression. Upadacitinib modulates the signaling pathway at the point of JAKs, preventing the phosphorylation and activation of STATs.

Molecular weight: 380.38
Formula: C17H19F3N6O
CLOGP: 2.26
LIPINSKI: 0
HAC: 7
HDO: 2
TPSA: 78.32
ALOGS: -3.73
ROTB: 4

Status: ONP

Legend:
OFP - off patent
OFM - off market
ONP - on patent

Drug dosage:

None

ADMET properties:

None

Approvals:

Date	Agency	Company
Jan. 23, 2020	PMDA	AbbVie GK
Aug. 16, 2019	FDA	ABBVIE INC
Dec. 16, 2019	EMA	AbbVie Deutschland GmbH & Co. KG

FDA Adverse Event Reporting System (Female)

MedDRA adverse event term	Likelihood ratio	Likelihood ratio threshold	Patients taking drug having adverse event	Patients taking drug not having adverse event	Patients not taking drug having adverse event	Patients not taking drug not having adverse event
Therapy interrupted	404.42	29.09	86	1203	10705	46674068
COVID-19	171.27	29.09	48	1241	18527	46666246
Urinary tract infection	53.79	29.09	46	1243	220220	46464553
Herpes zoster	41.85	29.09	25	1264	67847	46616926
Illness	31.24	29.09	12	1277	12212	46672561

FDA Adverse Event Reporting System (Male)

MedDRA adverse event term	Likelihood ratio	Likelihood ratio threshold	Patients taking drug having adverse event	Patients taking drug not having adverse event	Patients not taking drug having adverse event	Patients not taking drug not having adverse event
Therapy interrupted	83.65	38.97	17	294	4512	29947655
COVID-19	42.69	38.97	13	298	17865	29934302

Pharmacologic Action:

Source	Code	Description
ATC	L04AA44	ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS IMMUNOSUPPRESSANTS IMMUNOSUPPRESSANTS Selective immunosuppressants
MeSH PA	D018501	Antirheumatic Agents
MeSH PA	D004791	Enzyme Inhibitors
MeSH PA	D000075242	Janus Kinase Inhibitors
MeSH PA	D047428	Protein Kinase Inhibitors

Drug Use (View source of the data)

Disease	Relation	SNOMED_ID	DOID
Rheumatoid arthritis	indication	69896004	DOID:7148

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation level	Dissociation constant	Type (acidic/basic)
pKa1	11.85	acidic
pKa2	12.79	acidic
pKa3	3.25	Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

Formulation strength	Trade name	Applicant	Application number	Approval date	Type	Dose form	Route	Exclusivity date	Description
15MG	RINVOQ	ABBVIE INC	N211675	Aug. 16, 2019	RX	TABLET, EXTENDED RELEASE	ORAL	Aug. 16, 2024	NEW CHEMICAL ENTITY

Bioactivity Summary:

Target	Class	Pharos	UniProt	Action	Type	Activity value (-log[M])	Bioact source	MoA source
Tyrosine-protein kinase JAK1	Kinase	P23458	JAK1_HUMAN	INHIBITOR	IC50	7.33	SCIENTIFIC LITERATURE	DRUG LABEL
Tyrosine-protein kinase JAK2	Kinase	O60674	JAK2_HUMAN	INHIBITOR	IC50	6.92	SCIENTIFIC LITERATURE	DRUG LABEL
Tyrosine-protein kinase JAK3	Kinase	P52333	JAK3_HUMAN	INHIBITOR	IC50	5.63	SCIENTIFIC LITERATURE	DRUG LABEL

External reference:

ID	Source
4038662	VANDF
C4308782	UMLSCUI
CHEMBL3622821	ChEMBL_ID
CHEMBL3707269	ChEMBL_ID
58557659	PUBCHEM_CID
D10994	KEGG_DRUG
C000613732	MESH_SUPPLEMENTAL_RECORD_UI
10209	INN_ID
DB15091	DRUGBANK_ID
4RA0KN46E0	UNII
9246	IUPHAR_LIGAND_ID
2196092	RXNORM
321410	MMSL
37314	MMSL
d09350	MMSL
018092	NDDF
789397000	SNOMEDCT_US
789416006	SNOMEDCT_US

Pharmaceutical products:

Product	Category	Ingredients	NDC	Form	Quantity	Route	Marketing	Label
Rinvoq	HUMAN PRESCRIPTION DRUG LABEL	1	0074-2306	TABLET, EXTENDED RELEASE	15 mg	ORAL	NDA	29 sections