e-Drug3D

955

IXABEPILONE

INN
IXABEPILONE

cas 219989-84-1

CLASS

ANTINEOPLASTIC
CYTOTOXIC ANTIBIOTICS
MICROTUBULE INHIBITOR

ROUTE (list)

INTRAVENOUS

ATC code

L01DC04

PK parameters

Tmax 3 HOUR
VD 1000 LITER
Cl 39 LITER / HOUR (65 KILOGRAM)
PPB 72 PERCENT
t1/2 52 HOUR

Target

TARGET BETA TUBULIN

PDB
7DAF (IXA IN COMPLEX WITH TUBULIN)

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

Download experimental 3D coordinates of GZX with added hydrogens

DrugCentral

Tubulin beta UNIPROT P07437 TUBB

Download SDF file

(1R,5S,6S,7R,10S,14S,16S)-6,10-dihydroxy-1,5,7,9,9-pentamethyl-14-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-17-oxa-13-azabicyclo[14.1.0]heptadecane-8,12-dione

Formula:
C27H42N2O5S

Calculated chemical properties:

MW 506.70
NB_atoms 35
XLogP 4.05
PSA 84.948
NB_HD 3
NB_HA 7
fsp3 0.74
Lipinski(0=no;1=yes) 0

FDA
NDA 022065 (pdf not found) INN (IXABEPILONE) IXEMPRA KIT (R-PHARM US LLC) APPROVAL= AP YEAR= 2007 NEWMOLECULARENTITY