e-Drug3D

2074

TAURURSODIOL

DISCONTINUED

INN
TAURURSODIOL

cas 14605-22-2

CLASS

NERVOUS SYSTEM
TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS (ALS)
AMBIPHILIC BILE ACID
TAURINE CONJUGATE OF URSODIOL

ROUTE (list)

ORAL

ATC code

PK parameters

Tmax 4.5 HOUR
PPB 98 PERCENT

Solubility

SPARINGLY SOLUBLE IN WATER

Target

PDB
5DLV (CRYSTAL STRUCTURE OF AUTOTAXIN (ENPP2) WITH TAUROURSODEOXYCHOLIC ACID (TUDCA))

Download experimental 3D coordinates of 5D5 with added hydrogens

Unknown

Download SDF file

Ethanesulfonic acid, 2-[[(3alpha,5beta,7beta)-3,7-dihydroxy-24-oxocholan-24-yl]amino]- (9CI, ACI)

Formula:
C26H45NO6S

Calculated chemical properties:

MW 499.70
NB_atoms 34
XLogP 3.40
PSA 126.589
NB_HD 4
NB_HA 7
fsp3 0.96
Lipinski(0=no;1=yes) 1

FDA
NDA 216660 (label) INN (SODIUM PHENYLBUTYRATE ; TAURURSODIOL) RELYVRIO (AMYLYX) APPROVAL= AP YEAR= 2022 NEWMOLECULARENTITY DISCONTINUED