e-Drug3D

2067

LENACAPAVIR

INN
LENACAPAVIR

cas 2189684-44-2

CLASS

ANTIINFECTIVES
HIV-1 ANTIRETROVIRAL AGENT
HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 (HIV-1) CAPSID INHIBITOR

ROUTE (list)

SUBCUTANEOUS ORAL

ATC code

J05AX31

PK parameters

F 8 PERCENT
Tmax 5 HOUR
VD 19240 LITER
Cl 55 LITER / HOUR
PPB 98.5 PERCENT
t1/2 264 HOUR

Solubility

PRACTICALLY INSOLUBLE IN WATER

Target

TARGET GAG POLYPROTEIN

PDB
7RHN (CO-CRYSTAL STRUCTURE OF Q67H MUTANT OF DISULFIDE STABILIZED HIV-1 CA HEXAMER AND LENACAPAVIR)

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

Download experimental 3D coordinates of QNG with added hydrogens

DrugCentral

Gag polyprotein UNIPROT P12493

Download SDF file

1H-Cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-acetamide, N-[(1S)-1-[3-[4-chloro-3-[(methylsulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl]-6-[3-methyl-3-(methylsulfonyl)-1-butyn-1-yl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-5,5-difluoro-3b,4,4a,5-tetrahydro-3-(trifluoromethyl)-, (3bS,4aR)- (ACI)

Formula:
C39H32ClF10N7O5S2

Calculated chemical properties:

MW 968.31
NB_atoms 64
XLogP 7.66
PSA 147.247
NB_HD 2
NB_HA 12
fsp3 0.38
Lipinski(0=no;1=yes) 0

FDA
NDA 215973 (label) INN (LENACAPAVIR SODIUM) SUNLENCA (GILEAD SCIENCES INC) APPROVAL= AP YEAR= 2022 NEWMOLECULARENTITY
NDA 215974 (label) INN (LENACAPAVIR SODIUM) SUNLENCA (GILEAD SCIENCES INC) APPROVAL= AP YEAR= 2022 NEWMOLECULARENTITY
NDA 220018 (label) INN (LENACAPAVIR SODIUM) YEZTUGO (GILEAD SCIENCES INC) APPROVAL= AP YEAR= 2025 NEWAPPLICATION
NDA 220020 (label) INN (LENACAPAVIR SODIUM) YEZTUGO (GILEAD SCIENCES INC) APPROVAL= AP YEAR= 2025 NEWAPPLICATION