e-Drug3D

1203

ILOPROST

INN
ILOPROST

cas 78919-13-8

CLASS

BLOOD
ANTIHYPERTENSIVE
ANALOG OF PROSTACYLIN INDICATED FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION (PAH)

ROUTE (list)

INHALATION INTRAVENOUS

ATC code

B01AC11

PK parameters

Cmax NOT DETECTABLE (PICOMOLAR)
VD 24 LITER (65 KILOGRAM)
Cl 62 LITER / HOUR (65 KILOGRAM)
PPB 60 PERCENT
t1/2 0.57 HOUR

Solubility

VERY SLIGHTLY SOLUBLE IN DISTILLED WATER BUFFER PH 5

Target

TARGET PROSTACYCLIN RECEPTOR PGI2

PDB
3SP6 (STRUCTURAL BASIS FOR ILOPROST AS A DUAL PPARALPHA, DELTA AGONIST)

Ligand code = IL2 (link to the list of PDB complexes)

Download experimental 3D coordinates of IL2 with added hydrogens

DrugCentral

Prostacyclin receptor UNIPROT P43119 PTGIR

Download SDF file

(2-oxo-2-phenylethyl) (5Z)-5-[5-hydroxy-4-[(E)-3-hydroxy-4-methyloct-1-en-6-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoate

Formula:
C22H32O4

Calculated chemical properties:

MW 359.47
NB_atoms 26
XLogP 2.21
PSA 74.353
NB_HD 2
NB_HA 4
fsp3 0.68
Lipinski(0=no;1=yes) 1

FDA
NDA 021779 (label) INN (ILOPROST) VENTAVIS (ACTELION) APPROVAL= AP YEAR= 2004 NEWMOLECULARENTITY DISCONTINUED
NDA 217933 (label) INN (ILOPROST) AURLUMYN (BTG INTL) APPROVAL= AP YEAR= 2024