e-Drug3D

1307

ALISKIREN

INN
ALISKIREN

cas 173334-57-1

CLASS

CARDIOVASCULAR
ANTIHYPERTENSIVE
LOWER BLOOD PRESSURE
RENIN INHIBITOR

ROUTE (list)

ORAL

ATC code

C09XA02
C09XA53
C09XA52
C09XA54
C09DX02

PK parameters

F 2.5 PERCENT
Tmax 2 HOUR
VD 135 LITER
Cl 9 LITER / HOUR
PPB 49 PERCENT
t1/2 24 HOUR

Solubility

HIGHLY SOLUBLE IN WATER

Target

TARGET RENIN

PDB
2V0Z (CRYSTAL STRUCTURE OF RENIN WITH INHIBITOR 10 (ALISKIREN))

Ligand code = C41 (link to the list of PDB complexes)

Download experimental 3D coordinates of C41 with added hydrogens

DrugCentral

Renin UNIPROT P00797 REN

Download SDF file

(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide

Formula:
C30H53N3O6

Calculated chemical properties:

MW 551.75
NB_atoms 39
XLogP 3.29
PSA 136.331
NB_HD 6
NB_HA 9
fsp3 0.73
Lipinski(0=no;1=yes) 0

FDA
NDA 021985 (label) INN (ALISKIREN HEMIFUMARATE) TEKTURNA (NODEN PHARMA) APPROVAL= AP YEAR= 2007 NEWMOLECULARENTITY
NDA 022107 (label) INN (ALISKIREN HEMIFUMARATE ; HYDROCHLOROTHIAZIDE) TEKTURNA HCT (NODEN PHARMA) APPROVAL= AP YEAR= 2008 DISCONTINUED
NDA 022217 (label) INN (ALISKIREN HEMIFUMARATE ; VALSARTAN) VALTURNA (NOVARTIS) APPROVAL= AP YEAR= 2009 DISCONTINUED
NDA 022545 (label) INN (ALISKIREN HEMIFUMARATE ; AMLODIPINE BESYLATE) TEKAMLO (NOVARTIS) APPROVAL= AP YEAR= 2010 DISCONTINUED
NDA 200045 (label) INN (ALISKIREN HEMIFUMARATE ; AMLODIPINE BESYLATE ; HYDROCHLOROTHIAZIDE) AMTURNIDE (NOVARTIS) APPROVAL= AP YEAR= 2010 DISCONTINUED
NDA 210709 (label) INN (ALISKIREN HEMIFUMARATE) TEKTURNA (NODEN PHARMA) APPROVAL= AP YEAR= 2017 DISCONTINUED
NDA 206665 (pdf not found) INN (ALISKIREN HEMIFUMARATE) ALISKIREN HEMIFUMARATE (PH HEALTH) APPROVAL= AP YEAR= 2019