e-Drug3D

1589

TOFACITINIB


INN
TOFACITINIB

cas 477600-75-2
CLASS

IMMUNOMODULATING
INHIBITOR OF JANUS KINASES (JAKS)
TREATMENT OF RHEUMATOID ARTHRITIS

ROUTE (list)

ORAL

ATC code

L04AF01

PK parameters

F 74 PERCENT
VD 87 LITER
Cl 20 LITER / HOUR (EQN)
PPB 40 PERCENT
t1/2 3 HOUR

Solubility

FREELY SOLUBLE IN WATER


Target

TARGET JANUS KINASES (JAK)

PDB
3LXK (STRUCTURAL AND THERMODYNAMIC CHARACTERIZATION OF THE TYK2 AND JAK3 KINASE DOMAINS IN COMPLEX WITH CP-690550 AND CMP-6)

Ligand code = MI1 (link to the list of PDB complexes)

Download experimental 3D coordinates of MI1 with added hydrogens

DrugCentral

JAK1,TYK2 UNIPROT P23458 JAK1

JAK2,TYK2 UNIPROT O60674 JAK2

Download SDF file 1-Piperidinepropanenitrile, 4-methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-beta-oxo-, (3R,4R)-

Formula:
C16H20N6O

Calculated chemical properties:

MW 312.38
NB_atoms 23
XLogP 1.54
PSA 74.704
NB_HD 1
NB_HA 7
fsp3 0.50
Lipinski(0=no;1=yes) 1

FDA
NDA 203214 (label) INN (TOFACITINIB CITRATE) XELJANZ (PF PRISM CV) APPROVAL= AP YEAR= 2012
NDA 208246 (label) INN (TOFACITINIB CITRATE) XELJANZ XR (PFIZER) APPROVAL= AP YEAR= 2016
NDA 213082 (label) INN (TOFACITINIB CITRATE) XELJANZ (PFIZER) APPROVAL= AP YEAR= 2020
NDA 212943 (pdf not found) INN (TOFACITINIB CITRATE) TOFACITINIB CITRATE (AJANTA PHARMA LTD) APPROVAL= AP YEAR= 2021 DISCONTINUED
NDA 209633 (pdf not found) INN (TOFACITINIB) TOFACITINIB (BRECKENRIDGE PHARMS) APPROVAL= TA YEAR= 2021
NDA 214264 (pdf not found) INN (TOFACITINIB CITRATE) TOFACITINIB (ZYDUS PHARMS) APPROVAL= AP YEAR= 2021 DISCONTINUED
NDA 215552 (pdf not found) INN (TOFACITINIB) TOFACITINIB (YAOPHARMA CO LTD) APPROVAL= TA YEAR= 2022
NDA 209738 (pdf not found) INN (TOFACITINIB CITRATE) TOFACITINIB CITRATE (MICRO LABS) APPROVAL= TA YEAR= 2023
NDA 209829 (pdf not found) INN (TOFACITINIB CITRATE) TOFACITINIB CITRATE (ZYDUS PHARMS) APPROVAL= AP YEAR= 2023 DISCONTINUED
NDA 217299 (pdf not found) INN (TOFACITINIB CITRATE) TOFACITINIB (MSN PHARMS INC) APPROVAL= TA YEAR= 2023
NDA 216878 (pdf not found) INN (TOFACITINIB CITRATE) TOFACITINIB CITRATE (HIKMA) APPROVAL= AP YEAR= 2023 DISCONTINUED
NDA 209923 (pdf not found) INN (TOFACITINIB) TOFACITINIB (PRINSTON PHARMA INC) APPROVAL= TA YEAR= 2024
NDA 218462 (pdf not found) INN (TOFACITINIB CITRATE) TOFACITINIB (AUROBINDO PHARMA LTD) APPROVAL= AP YEAR= 2024 DISCONTINUED
NDA 218437 (pdf not found) INN (TOFACITINIB) TOFACITINIB (ANNORA PHARMA PRIVATE LIMITED) APPROVAL= TA YEAR= 2024
NDA 218668 (pdf not found) INN (TOFACITINIB CITRATE) TOFACITINIB CITRATE (DEXCEL) APPROVAL= AP YEAR= 2024 DISCONTINUED
NDA 219542 (pdf not found) INN (TOFACITINIB CITRATE) TOFACITINIB CITRATE (AJANTA PHARMA LTD) APPROVAL= AP YEAR= 2025

Other links:

PubChem
ChemicalProbes

U.S. repository of Clinical Trials

VigiAccess
SIDER side effects

ChemSynthesis
Patent@SureChEMBL