e-Drug3D

2009

VOCLOSPORIN

INN
VOCLOSPORIN

cas 515814-01-4

CLASS

IMMUNOMODULATING
CYCLOPHILIN LIGAND
A CALCINEURIN-INHIBITOR IMMUNOSUPPRESSANT

ROUTE (list)

ORAL

ATC code

L04AD03

PK parameters

Tmax 1.5 HOUR
VD 2154 LITER
Cl 63.6 LITER / HOUR
PPB 97 PERCENT
t1/2 30 HOUR

Solubility

PRACTICALLY INSOLUBLE IN WATER (LESS THAN 0.1 GRAM PER LITER)

Target

TARGET CYCLOPHILIN A

PDB
3ODI (CRYSTAL STRUCTURE OF CYCLOPHILIN A IN COMPLEX WITH VOCLOSPORIN E-ISA247)

Download experimental 3D coordinates of VOCLOSPORIN with added hydrogens

Peptidyl-prolyl cis-trans isomerase A UNIPROT P62937 PPIA

Download SDF file

Cyclosporin A, 6-[(2S,3R,4R,6E)-3-hydroxy-4-methyl-2-(methylamino)-6,8-nonadienoic acid]-

Formula:
C63H111N11O12

Calculated chemical properties:

MW 1214.63
NB_atoms 86
XLogP 3.44
PSA 234.173
NB_HD 5
NB_HA 23
fsp3 0.76
Lipinski(0=no;1=yes) 0

FDA
NDA 213716 (label) INN (VOCLOSPORIN) LUPKYNIS (AURINIA) APPROVAL= AP YEAR= 2021 NEWMOLECULARENTITY