e-Drug3D

1624

cas 2756-87-8

CLASS

IMMUNOSUPPRESSANTS
TREATMENT OF TREATMENT OF PATIENTS WITH RELAPSING FORMS OF MULTIPLE SCLEROSIS
ACTIVATES THE NUCLEAR FACTOR (ERYTHROID-DERIVED 2)-LIKE 2 (NRF2) PATHWAY
NICOTINIC ACID RECEPTOR AGONIST

ROUTE (list)

ORAL

PK parameters

Tmax 2.25 HOUR
Cmax 12.9 MICROMOLAR
VD 63 LITER
Cl 43.6 LITER / HOUR (EQN)
PPB 36 PERCENT
t1/2 1 HOUR

TARGET NICOTINIC ACID RECEPTOR (NIACR)

PDB
8JHN (STRUCTURE OF MMF-GPR109A-G PROTEIN COMPLEX)

Ligand code = UR9 (link to the list of PDB complexes)

Download experimental 3D coordinates of UR9 with added hydrogens

MW 129.09
NB_atoms 9
XLogP -1.53
PSA 62.718
NB_HD 0
NB_HA 4
fsp3 0.20
Lipinski(0=no;1=yes) 1

FDA
NDA 210296 (label) INN (MONOMETHYL FUMARATE) BAFIERTAM (BANNER LIFE SCIENCES) APPROVAL= AP YEAR= 2020

e-Drug3D

1625

cas 624-49-7

CLASS

IMMUNOSUPPRESSANTS
TREATMENT OF TREATMENT OF PATIENTS WITH RELAPSING FORMS OF MULTIPLE SCLEROSIS
ACTIVATES THE NUCLEAR FACTOR (ERYTHROID-DERIVED 2)-LIKE 2 (NRF2) PATHWAY
METABOLITE MONOMETHYL FUMARATE IS A NICOTINIC ACID RECEPTOR AGONIST

ROUTE (list)

ORAL

PK parameters

TARGET NICOTINIC ACID RECEPTOR (NIACR)

PDB
6LRZ (CRYSTAL STRUCTURE OF KEAP1 IN COMPLEX WITH DIMETHYL FUMARATE (DMF))

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

Download experimental 3D coordinates of EOU with added hydrogens

MW 144.12
NB_atoms 10
XLogP -0.11
PSA 53.094
NB_HD 0
NB_HA 4
fsp3 0.33
Lipinski(0=no;1=yes) 1

FDA
NDA 204063 (label) INN (DIMETHYL FUMARATE) TECFIDERA (BIOGEN) APPROVAL= AP YEAR= 2013 NEWMOLECULARENTITY
NDA 210291 (pdf not found) INN (DIMETHYL FUMARATE) DIMETHYL FUMARATE (SHILPA MEDICARE LTD) APPROVAL= TA YEAR= 2018
NDA 210226 (pdf not found) INN (DIMETHYL FUMARATE) DIMETHYL FUMARATE (LUPIN) APPROVAL= AP YEAR= 2020
NDA 210499 (pdf not found) INN (DIMETHYL FUMARATE) DIMETHYL FUMARATE (ACCORD HLTHCARE) APPROVAL= AP YEAR= 2020
NDA 210538 (pdf not found) INN (DIMETHYL FUMARATE) DIMETHYL FUMARATE (ZYDUS PHARMS) APPROVAL= AP YEAR= 2020 DISCONTINUED
NDA 210382 (pdf not found) INN (DIMETHYL FUMARATE) DIMETHYL FUMARATE (TWI PHARMS) APPROVAL= AP YEAR= 2020
NDA 210309 (pdf not found) INN (DIMETHYL FUMARATE) DIMETHYL FUMARATE (GLENMARK PHARMS LTD) APPROVAL= AP YEAR= 2020
NDA 210305 (pdf not found) INN (DIMETHYL FUMARATE) DIMETHYL FUMARATE (CIPLA) APPROVAL= AP YEAR= 2020 DISCONTINUED
NDA 210402 (pdf not found) INN (DIMETHYL FUMARATE) DIMETHYL FUMARATE (AMNEAL) APPROVAL= AP YEAR= 2020
NDA 210440 (pdf not found) INN (DIMETHYL FUMARATE) DIMETHYL FUMARATE (ALKEM LABS LTD) APPROVAL= AP YEAR= 2020
NDA 210460 (pdf not found) INN (DIMETHYL FUMARATE) DIMETHYL FUMARATE (MSN) APPROVAL= AP YEAR= 2020
NDA 210500 (pdf not found) INN (DIMETHYL FUMARATE) DIMETHYL FUMARATE (HETERO LABS LTD III) APPROVAL= AP YEAR= 2020
NDA 210531 (pdf not found) INN (DIMETHYL FUMARATE) DIMETHYL FUMARATE (MYLAN) APPROVAL= AP YEAR= 2020 DISCONTINUED
NDA 210436 (pdf not found) INN (DIMETHYL FUMARATE) DIMETHYL FUMARATE (SOLA PHARMS) APPROVAL= AP YEAR= 2021
NDA 210285 (pdf not found) INN (DIMETHYL FUMARATE) DIMETHYL FUMARATE (SAWAI USA) APPROVAL= AP YEAR= 2021 DISCONTINUED
NDA 210385 (pdf not found) INN (DIMETHYL FUMARATE) DIMETHYL FUMARATE (AUROBINDO PHARMA) APPROVAL= AP YEAR= 2022
NDA 210414 (pdf not found) INN (DIMETHYL FUMARATE) DIMETHYL FUMARATE (PRINSTON INC) APPROVAL= AP YEAR= 2022
NDA 210377 (pdf not found) INN (DIMETHYL FUMARATE) DIMETHYL FUMARATE (MACLEODS PHARMS LTD) APPROVAL= AP YEAR= 2024
NDA 210390 (pdf not found) INN (DIMETHYL FUMARATE) DIMETHYL FUMARATE (TORRENT) APPROVAL= AP YEAR= 2025 DISCONTINUED

e-Drug3D

1952

cas 1577222-14-0

CLASS

IMMUNOSUPPRESSANTS
TREATMENT OF MULTIPLE SCLEROSIS (MS)
ACTIVE METABOLITE MONOMETHYL FUMARATE (MMF) ACTIVATES NUCLEAR FACTOR (ERYTHROID-DERIVED 2)-LIKE 2 (NRF2) PATHWAY

ROUTE (list)

ORAL

PK parameters

MW 255.22
NB_atoms 18
XLogP -0.59
PSA 90.167
NB_HD 0
NB_HA 7
fsp3 0.45
Lipinski(0=no;1=yes) 1

FDA
NDA 211855 (label) INN (DIROXIMEL FUMARATE) VUMERITY (BIOGEN) APPROVAL= AP YEAR= 2019
NDA 218596 (pdf not found) INN (DIROXIMEL FUMARATE) DIROXIMEL FUMARATE (ZYDUS) APPROVAL= AP YEAR= 2025