e-Drug3D

931

ALVIMOPAN

INN
ALVIMOPAN

cas 156053-89-3

CLASS

METABOLISM
MU-TYPE OPIOID ANTAGONIST (KI=0.4 NANOMOLAR)
GASTROINTESTINAL
ANTAGONIZES THE PERIPHERAL EFFECTS OF OPIOIDS

ROUTE (list)

ORAL

ATC code

A06AH02

PK parameters

F 6 PERCENT
Tmax 2 HOUR
VD 30 LITER
Cl 24 LITER / HOUR
PPB 80 PERCENT
t1/2 14 HOUR

Solubility

LESS THAN 0.1 MILLIGRAM / MILLILITER IN WATER

Target

TARGET MU-TYPE OPIOID RECEPTOR

PDB
7UL4 (CRYOEM STRUCTURE OF INACTIVE MOR BOUND TO ALVIMOPAN AND MB6)

Ligand code = NG0 (link to the list of PDB complexes)

Download experimental 3D coordinates of NG0 with added hydrogens

DrugCentral

Mu-type opioid receptor UNIPROT P35372 OPRM1

Download SDF file

2-[[(2S)-2-[[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]methyl]-3-phenylpropanoyl]amino]acetic acid

Formula:
C25H32N2O4

Calculated chemical properties:

MW 423.52
NB_atoms 31
XLogP 1.72
PSA 86.041
NB_HD 2
NB_HA 6
fsp3 0.44
Lipinski(0=no;1=yes) 1

FDA
NDA 021775 (label) INN (ALVIMOPAN) ENTEREG (CUBIST PHARMS) APPROVAL= AP YEAR= 2008 NEWMOLECULARENTITY DISCONTINUED
NDA 208295 (pdf not found) INN (ALVIMOPAN) ALVIMOPAN (WATSON LABS TEVA) APPROVAL= AP YEAR= 2019
NDA 216843 (pdf not found) INN (ALVIMOPAN) ALVIMOPAN (PH HEALTH) APPROVAL= AP YEAR= 2023
NDA 217753 (pdf not found) INN (ALVIMOPAN) ALVIMOPAN (HIKMA) APPROVAL= AP YEAR= 2023