e-Drug3D

2155

INAVOLISIB

INN
INAVOLISIB

cas 2060571-02-8

CLASS

ANTINEOPLASTIC
KINASE INHIBITOR
TREATMENT OF METASTATIC BREAST CANCER

ROUTE (list)

ORAL

ATC code

PK parameters

F 76 PERCENT
Tmax 3 HOUR
VD 155 LITER
Cl 8.8 LITER / HOUR
PPB 37 PERCENT
t1/2 15 HOUR

Solubility

DECREASES WITH INCREASING PH

Target

TARGET PHOSPHATIDYLINOSITOL 3-KINASE (PI3K) ALPHA

PDB
8EXV (CRYSTAL STRUCTURE OF PI3K-ALPHA IN COMPLEX WITH COMPOUND 32)

Download experimental 3D coordinates of X3N with added hydrogens

Download SDF file

Propanamide, 2-[[2-[(4S)-4-(difluoromethyl)-2-oxo-3-oxazolidinyl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]-, (2S)- (ACI)

Formula:
C18H19F2N5O4

Calculated chemical properties:

MW 407.38
NB_atoms 29
XLogP 1.82
PSA 105.302
NB_HD 3
NB_HA 9
fsp3 0.39
Lipinski(0=no;1=yes) 1

FDA
NDA 219249 (pdf not found) INN (INAVOLISIB) ITOVEBI (GENENTECH INC) APPROVAL= AP YEAR= 2024 NEWMOLECULARENTITY