e-Drug3D

2050

ASCIMINIB

INN
ASCIMINIB

cas 1492952-76-7

CLASS

ANTINEOPLASTIC
ABL1 KINASE INHIBITOR
TREATMENT OF CHRONIC MYELOID LEUKEMIA (CML)
INHIBITS THE ABL1 KINASE ACTIVITY OF THE BCR-ABL1 FUSION PROTEIN

ROUTE (list)

ORAL

ATC code

L01EA06

PK parameters

Tmax 2.5 HOUR
VD 151 LITER
Cl 4.1 LITER / HOUR
PPB 97 PERCENT
t1/2 9 HOUR

Target

TARGET ABL1 KINASE

PDB
5MO4 (ABL1 KINASE (T334I_D382N) IN COMPLEX WITH ASCIMINIB AND NILOTINIB)

Download experimental 3D coordinates of AY7 with added hydrogens

Tyrosine-protein kinase ABL1 UNIPROT P00519

Download SDF file

3-Pyridinecarboxamide, N-[4-(chlorodifluoromethoxy)phenyl]-6-[(3R)-3-hydroxy-1-pyrrolidinyl]-5-(1H-pyrazol-3-yl)

Formula:
C20H18ClF2N5O3

Calculated chemical properties:

MW 449.84
NB_atoms 31
XLogP 3.46
PSA 96.475
NB_HD 3
NB_HA 8
fsp3 0.25
Lipinski(0=no;1=yes) 1

FDA
NDA 215358 (label) INN (ASCIMINIB HYDROCHLORIDE) SCEMBLIX (NOVARTIS) APPROVAL= AP YEAR= 2021