e-Drug3D

1859

BARICITINIB

INN
BARICITINIB

cas 1187594-09-7

CLASS

IMMUNOMODULATING
JANUS KINASES (JAKS) INHIBITOR
TREATMENT OF ADULT PATIENTS WITH MODERATELY TO SEVERELY ACTIVE RHEUMATOID ARTHRITIS

ROUTE (list)

ORAL

ATC code

L04AF02

PK parameters

F 80 PERCENT
Tmax 1 HOUR
VD 76 LITER
Cl 8.9 LITER / HOUR
PPB 50 PERCENT
t1/2 12 HOUR

Target

TARGET JANUS KINASES (JAK)

PDB
4W9X (CRYSTAL STRUCTURE OF BMP-2-INDUCIBLE KINASE IN COMPLEX WITH BARICITINIB)

Ligand code = 3JW (link to the list of PDB complexes)

Download experimental 3D coordinates of 3JW with added hydrogens

DrugCentral

Tyrosine-protein kinase JAK1 UNIPROT P23458 JAK1

Tyrosine-protein kinase JAK2 UNIPROT O60674 JAK2

Download SDF file

3-Azetidineacetonitrile, 1-(ethylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-

Formula:
C16H17N7O2S

Calculated chemical properties:

MW 371.44
NB_atoms 26
XLogP 1.10
PSA 107.236
NB_HD 1
NB_HA 9
fsp3 0.38
Lipinski(0=no;1=yes) 1

FDA
NDA 207924 (label) INN (BARICITINIB) OLUMIANT (ELI LILLY AND CO) APPROVAL= AP YEAR= 2018 NEWMOLECULARENTITY
NDA 217542 (pdf not found) INN (BARICITINIB) BARICITINIB (AUROBINDO PHARMA LTD) APPROVAL= AP YEAR= 2024 DISCONTINUED
NDA 217585 (pdf not found) INN (BARICITINIB) OLUMIANT (MSN) APPROVAL= AP YEAR= 2025