General
Preferred name
DARUNAVIR
Synonyms
DARUNAVIR ETHANOLATE ()
TMC114 ()
UIC 94017 ()
Darunavir?Ethanolate ()
Symtuza-darunavir ()
Darunavir (Ethanolate) ()
TMC114 (Ethanolate) ()
UIC-94017 ()
TMC-114, UIC 94017 ()
TMC114,DRV ()
Tmc114 ethanolate ()
Darunavir monoethanolate ()
Darunavir (as ethanolate) ()
Rezolsta ()
Prezista ()
UIC-940T ()
TMC-114 ()
TMC-41629 ()
(-)-darunavir ()
TMC 114 ()
MC-114 ()
Darunavir-d9 ()
P&D ID
PD009930
CAS
635728-49-3
206361-99-1
635728-39-1
618109-00-5
1133378-37-6
Tags
natural product
drug
available
Approved by
PMDA
EMA
FDA
First approval
2006
Drug Status
approved
Drug indication
Human immunodeficiency virus infection
Human immunodeficiency virus-1 infection
Max Phase
Phase 4
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCPRITION An HIV PROTEASE INHIBITOR that is used in the treatment of AIDS and HIV INFECTIONS. Due to the emergence of ANTIVIRAL DRUG RESISTANCE when used alone, it is administered in combination with other ANTI-HIV AGENTS.
DESCRIPTION Darunavir is a second-generation human immunodeficiency virus 1 (HIV-1) protease inhibitor (PI) . (GtoPdb)
DESCRIPTION Potent inhibitor of TGF-betaRI (Tocris Bioactive Compound Library)
Cell lines
1
Organisms
8
Compound Sets
24
AdooQ Bioactive Compound Library
A11853
A20829
Axon Medchem Screening Library
3137
Cayman Chemical Bioactives
31083
15866
25220
ChEMBL Approved Drugs
CHEMBL1201127
CHEMBL1323
ChEMBL Drugs
CHEMBL1201127
CHEMBL1323
Drug Repurposing Hub
DrugBank
DB01264
DrugBank Approved Drugs
DB01264
DrugCentral
4143
DrugCentral Approved Drugs
4143
DrugMAP
DMN3GCH
DrugMAP Approved Drugs
DMN3GCH
EU-OPENSCREEN Bioactive Compound Library
EOS100789
Guide to Pharmacology
11243
MedChem Express Bioactive Compound Library
HY-17041
HY-17040
Natural product-based probes and drugs
NCATS Inxight Approved Drugs
YO603Y8113
NPC Screening Collection
Prestwick Chemical Library
ReFrame library
Selleckchem Bioactive Compound Library
Darunavir-Ethanolate(Prezista)
darunavir
TargetMol Bioactive Compound Library
T3335
T2324
Tocris Bioactive Compound Library
6710
VGSC-DB
NA0117
NA0118
External IDs
69
Properties
(calculated by RDKit )
Molecular Weight
547.24
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
3
Rotatable Bonds
11
Ring Count
4
Aromatic Ring Count
2
cLogP
2.38
TPSA
140.42
Fraction CSP3
0.52
Chiral centers
5.0
Largest ring
6.0
QED
0.36
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Microbiology&virology
Proteases/Proteasome
Anti-infection
Metabolic Enzyme/Protease
Target
WT HIV-1 protease
HIV Protease
CYP3A4
HIV protease inhibitor
HIV
COVID-19,HIV Protease
Primary Target
Other Proteases
MOA
Inhibitor
HIV Protease inhibitor
Indication
human immunodeficiency virus (HIV-1)
Biosynthetic Origin
Peptide (Ribosomal)
Therapeutic Indication
Antiviral
Therapeutic Class
Antiviral Agents
VGSC Target
Nav1.5
Source data