e-Drug3D

1310

NILOTINIB

INN
NILOTINIB

cas 641571-10-0

CLASS

ANTINEOPLASTIC
PROTEIN KINASE INHIBITORS
CHRONIC MYELOID LEUKEMIA (CML)
IC50 VALUES AS INDICATED: BCR-ABL (20-60 NM) PDGFR (69 NM) C-KIT (210 NM) CSF-1R (125-250 NM) AND DDR1 (3.7 NM)

ROUTE (list)

ORAL

ATC code

L01EA03

PK parameters

Tmax 3 HOUR
PPB 98 PERCENT
t1/2 17 HOUR

Solubility

IN AQUEOUS SOLUTIONS DECREASES WITH INCREASING PH

Target

TARGET BCR-ABL TYROSINE KINASE

PDB
3CS9 (HUMAN ABL KINASE IN COMPLEX WITH NILOTINIB)

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

Download experimental 3D coordinates of NIL with added hydrogens

DrugCentral

Tyrosine-protein kinase ABL1 UNIPROT P00519 ABL1

Download SDF file

4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide

Formula:
C28H22F3N7O

Calculated chemical properties:

MW 529.53
NB_atoms 39
XLogP 6.36
PSA 77.791
NB_HD 2
NB_HA 8
fsp3 0.11
Lipinski(0=no;1=yes) 0

FDA
NDA 022068 (label) INN (NILOTINIB HYDROCHLORIDE) TASIGNA (NOVARTIS) APPROVAL= AP YEAR= 2007
NDA 203640 (pdf not found) INN (NILOTINIB HYDROCHLORIDE) NILOTINIB HYDROCHLORIDE (APOTEX) APPROVAL= AP YEAR= 2024
NDA 209651 (pdf not found) INN (NILOTINIB HYDROCHLORIDE DIHYDRATE) NILOTINIB HYDROCHLORIDE DIHYDRATE (HETERO LABS LIMITED) APPROVAL= TA YEAR= 2024
NDA 218544 (pdf not found) INN (NILOTINIB) NILOTINIB (MSN LABORATORIES PRIVATE LTD) APPROVAL= TA YEAR= 2024
NDA 219293 (label) INN (NILOTINIB TARTRATE) DANZITEN (AZURITY) APPROVAL= AP YEAR= 2024
NDA 218532 (pdf not found) INN (NILOTINIB) NILOTINIB (TORRENT PHARMS LTD) APPROVAL= TA YEAR= 2025
NDA 218922 (label) INN (NILOTINIB) NILOTINIB D-TARTRATE (CIPLA) APPROVAL= AP YEAR= 2025