e-Drug3D

1309

LAPATINIB

INN
LAPATINIB

cas 231277-92-2

CLASS

ANTINEOPLASTIC AGENTS
PROTEIN KINASE INHIBITORS
METASTATIC BREAST CANCER WHOSE TUMORS OVEREXPRESS HER2

ROUTE (list)

ORAL

ATC code

L01EH01

PK parameters

Tmax 4 HOUR
PPB 99 PERCENT
t1/2 14.2 HOUR

Solubility

0.007 MILLIGRAM / MILLILITER

Target

TARGET HUMAN EPIDERMAL RECEPTOR TYPE 2 (RECEPTOR TYROSINE-PROTEIN KINASE HER2 ERBB-2 KI = 3 NANOMOLAR)
EPIDERMAL GROWTH FACTOR RECEPTOR (EGFR KI = 13 NANOMOLAR)

PDB
1XKK (EGFR KINASE DOMAIN COMPLEXED WITH A QUINAZOLINE INHIBITOR- GW572016)

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

Download experimental 3D coordinates of FMM with added hydrogens

DrugCentral

Epidermal growth factor receptor UNIPROT P00533 EGFR

Receptor tyrosine-protein kinase erbB-2 UNIPROT P04626 ERBB2

Download SDF file

N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine

Formula:
C29H26ClFN4O4S

Calculated chemical properties:

MW 581.06
NB_atoms 40
XLogP 6.14
PSA 100.692
NB_HD 2
NB_HA 8
fsp3 0.17
Lipinski(0=no;1=yes) 0

FDA
NDA 022059 (label) INN (LAPATINIB DITOSYLATE) TYKERB (NOVARTIS) APPROVAL= AP YEAR= 2007 NEWMOLECULARENTITY
NDA 203007 (pdf not found) INN (LAPATINIB DITOSYLATE) LAPATINIB DITOSYLATE (NATCO PHARMA LTD) APPROVAL= AP YEAR= 2020
NDA 217968 (pdf not found) INN (LAPATINIB DITOSYLATE) LAPATINIB DITOSYLATE (TEVA PHARMS USA INC) APPROVAL= AP YEAR= 2024