e-Drug3D

2122

XANOMELINE

INN
XANOMELINE

cas 131986-45-3

CLASS

NERVOUS SYSTEM
MUSCARINIC AGONIST
TREATMENT OF SCHIZOPHRENIA

ROUTE (list)

ORAL

ATC code

PK parameters

Tmax 2 HOUR
VD 10800 LITER
Cl 1950 LITER / HOUR
PPB 95 PERCENT
t1/2 5 HOUR

Solubility

HIGHLY SOLUBLE IN WATER

Target

TARGET M1 MUSCARINIC ACETYLCHOLINE RECEPTORS
M4 MUSCARINIC ACETYLCHOLINE RECEPTORS

PDB
8FX5 (HUMAN M4 MUSCARINIC ACETYLCHOLINE RECEPTOR COMPLEX WITH GI1 AND XANOMELINE)

Download experimental 3D coordinates of XNO with added hydrogens

Muscarinic acetylcholine receptor M1 UNIPROT P11229 ACM1_HUMAN

Muscarinic acetylcholine receptor M4 UNIPROT P08173 ACM4_HUMAN

Download SDF file

Pyridine, 3-[4-(hexyloxy)-1,2,5-thiadiazol-3-yl]-1,2,5,6-tetrahydro-1-methyl-

Formula:
C14H23N3OS

Calculated chemical properties:

MW 281.42
NB_atoms 19
XLogP 3.22
PSA 34.308
NB_HD 0
NB_HA 4
fsp3 0.71
Lipinski(0=no;1=yes) 1

FDA
NDA 216158 (label) INN (TROSPIUM CHLORIDE ; XANOMELINE TARTRATE) COBENFY (BRISTOL-MYERS) APPROVAL= AP YEAR= 2024 NEWMOLECULARENTITY