e-Drug3D

2068

PIRTOBRUTINIB

INN
PIRTOBRUTINIB

cas 2101700-15-4

CLASS

ANTINEOPLASTIC
BTK KINASE INHIBITOR
TREATMENT OF MANTLE CELL LYMPHOMA (MCL)

ROUTE (list)

ORAL

ATC code

L01EL05

PK parameters

F 85.5 PERCENT
Tmax 2 HOUR
VD 32.8 LITER
Cl 2.02 LITER / HOUR
PPB 96 PERCENT
t1/2 19 HOUR

Solubility

PRACTICALLY INSOLUBLE IN WATER

Target

TARGET BTK KINASE

PDB
8FLL (CRYSTAL STRUCTURE OF BTK KINASE DOMAIN IN COMPLEX WITH PIRTOBRUTINIB)

Download experimental 3D coordinates of Y7W with added hydrogens

Tyrosine-protein kinase BTK UNIPROT Q06187

Download SDF file

1H-Pyrazole-4-carboxamide, 5-amino-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-1-[(1S)-2,2,2-trifluoro-1-methylethyl]- (ACI)

Formula:
C22H21F4N5O3

Calculated chemical properties:

MW 479.44
NB_atoms 34
XLogP 3.43
PSA 114.913
NB_HD 5
NB_HA 8
fsp3 0.23
Lipinski(0=no;1=yes) 1

FDA
NDA 216059 (label) INN (PIRTOBRUTINIB) JAYPIRCA (LOXO ONCOL) APPROVAL= AP YEAR= 2023 NEWMOLECULARENTITY