e-Drug3D

2104

NIROGACESTAT

INN
NIROGACESTAT

cas 1290543-63-3

CLASS

ANTINEOPLASTIC
GAMMA SECRETASE INHIBITOR
TREATMENT OF PROGRESSING DESMOID TUMORS
BLOCKS PROTEOLYTIC ACTIVATION OF THE NOTCH RECEPTOR

ROUTE (list)

ORAL

ATC code

L01XX81

PK parameters

F 19 PERCENT
Tmax 1.5 HOUR
VD 1430 LITER
Cl 45 LITER / HOUR
PPB 99.6 PERCENT
t1/2 23 HOUR

Solubility

SIGNIFICANTLY DECREASES AT PH HIGHER THAN 6.0

Target

TARGET GAMMA SECRETASE

PDB
8KCT (CRYO-EM STRUCTURE OF HUMAN GAMMA-SECRETASE IN COMPLEX WITH NIROGACESTAT)

Ligand code = O6U (link to the list of PDB complexes)

Download experimental 3D coordinates of O6U with added hydrogens

DrugCentral

Download SDF file

Pentanamide, 2-[[(2S)-6,8-difluoro-1,2,3,4-tetrahydro-2-naphthalenyl]amino]-N-[1-[2-[(2,2-dimethylpropyl)amino]-1,1-dimethylethyl]-1H-imidazol-4-yl]-, (2S)- (ACI)

Formula:
C27H41F2N5O

Calculated chemical properties:

MW 489.65
NB_atoms 35
XLogP 4.79
PSA 61.825
NB_HD 3
NB_HA 6
fsp3 0.63
Lipinski(0=no;1=yes) 1

FDA
NDA 217677 (label) INN (NIROGACESTAT HYDROBROMIDE) OGSIVEO (SPRINGWORKS) APPROVAL= AP YEAR= 2023 NEWMOLECULARENTITY