e-Drug3D

1305

DARUNAVIR


INN
DARUNAVIR

cas 206361-99-1
CLASS

ANTIINFECTIVES
ANTIVIRAL AGENTS
HIV PROTEASE INHIBITOR

ROUTE (list)

ORAL

ATC code

J05AE10
J05AR14
J05AR26
J05AR22

PK parameters

F 59 PERCENT
VD 88 LITER
Cl 19.3 LITER / HOUR
PPB 95 PERCENT
t1/2 15 HOUR

Solubility

0.15 MILLIGRAM / MILLILITER IN WATER


Target

TARGET HIV-1 PROTEASE

PDB
4Q1W (MUTATIONS OUTSIDE THE ACTIVE SITE OF HIV-1 PROTEASE ALTER ENZYME STRUCTURE AND DYNAMIC ENSEMBLE OF THE ACTIVE SITE TO CONFER DRUG RESISTANCE)

Ligand code = 017 (link to the list of PDB complexes)

Download experimental 3D coordinates of 017 with added hydrogens

DrugCentral

Pol polyprotein UNIPROT Q72874 pol

Download SDF file [(3R,3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[5,4-b]furan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

Formula:
C27H37N3O7S

Calculated chemical properties:

MW 547.67
NB_atoms 38
XLogP 2.38
PSA 131.418
NB_HD 4
NB_HA 10
fsp3 0.52
Lipinski(0=no;1=yes) 0

FDA
NDA 021976 (label) INN (DARUNAVIR) PREZISTA (JANSSEN PRODS) APPROVAL= AP YEAR= 2006
NDA 202895 (label) INN (DARUNAVIR) PREZISTA (JANSSEN PRODS) APPROVAL= AP YEAR= 2011
NDA 205395 (label) INN (COBICISTAT ; DARUNAVIR ETHANOLATE) PREZCOBIX (JANSSEN PRODS) APPROVAL= AP YEAR= 2015
NDA 202118 (pdf not found) INN (DARUNAVIR) DARUNAVIR (TEVA PHARMS USA) APPROVAL= AP YEAR= 2017 DISCONTINUED
NDA 206555 (pdf not found) INN (DARUNAVIR) DARUNAVIR (TEVA PHARMS) APPROVAL= TA YEAR= 2017
NDA 207189 (pdf not found) INN (DARUNAVIR) DARUNAVIR (CIPLA LTD) APPROVAL= TA YEAR= 2017
NDA 210455 (label) INN (COBICISTAT ; DARUNAVIR ; EMTRICITABINE ; TENOFOVIR ALAFENAMIDE FUMARATE) SYMTUZA (JANSSEN PRODS) APPROVAL= AP YEAR= 2018
NDA 210187 (pdf not found) INN (DARUNAVIR ETHANOLATE) DARUNAVIR ETHANOLATE (MICRO LABS USA) APPROVAL= TA YEAR= 2020
NDA 202073 (pdf not found) INN (DARUNAVIR) DARUNAVIR (LUPIN LTD) APPROVAL= AP YEAR= 2022
NDA 202083 (pdf not found) INN (DARUNAVIR) DARUNAVIR (HETERO LABS LTD III) APPROVAL= AP YEAR= 2023
NDA 206288 (pdf not found) INN (DARUNAVIR) DARUNAVIR (CIPLA) APPROVAL= AP YEAR= 2023
NDA 211578 (pdf not found) INN (DARUNAVIR) DARUNAVIR (DR REDDYS) APPROVAL= AP YEAR= 2023
NDA 215389 (pdf not found) INN (DARUNAVIR) DARUNAVIR (MSN) APPROVAL= AP YEAR= 2023
NDA 209847 (pdf not found) INN (DARUNAVIR ; RITONAVIR) DARUNAVIR AND RITONAVIR (MYLAN PHARMS INC) APPROVAL= TA YEAR= 2023
NDA 210677 (pdf not found) INN (DARUNAVIR) DARUNAVIR (AUROBINDO PHARMA LTD) APPROVAL= AP YEAR= 2023
NDA 212493 (pdf not found) INN (DARUNAVIR) DARUNAVIR (AMNEAL) APPROVAL= TA YEAR= 2023
NDA 214085 (pdf not found) INN (DARUNAVIR) DARUNAVIR (ZYDUS LIFESCIENCES) APPROVAL= AP YEAR= 2023
NDA 202136 (pdf not found) INN (DARUNAVIR) DARUNAVIR (MYLAN) APPROVAL= AP YEAR= 2025
NDA 216168 (pdf not found) INN (DARUNAVIR) DARUNAVIR (ANNORA PHARMA) APPROVAL= AP YEAR= 2025

Other links:

PubChem
ChemicalProbes

U.S. repository of Clinical Trials

VigiAccess
SIDER side effects

ChemSynthesis
Patent@SureChEMBL