General
Preferred name
SAQUINAVIR
Synonyms
SAQUINAVIR MESYLATE ()
Saquinavir (Mesylate) ()
Ro 31-8959 ()
Ro 31-8959/003 ()
Ro 31-8959,SAQ ()
Saquinavir (Ro 31-8959) ()
Saquinavir (mesylate) ()
Saquinavirum ()
SCH-52852 ()
RO-31-8959/000 ()
Fortovase ()
RO 31-8959/000 ()
Invirase ()
Saquinavir mesilate ()
RO-31-8959/003 ()
Ro-318959003 ()
Ro-31-8959-003 ()
Saquinavir methanesulfonate salt ()
Saquinavir-d9 ()
P&D ID
PD012384
CAS
149845-06-7
127779-20-8
1356355-11-7
Tags
available
drug
Approved by
EMA
FDA
First approval
1995
Drug indication
Sarcoma
HIV infection
Human immunodeficiency virus infection
Drug Status
approved
withdrawn
investigational
Max Phase
4.0
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 which acts as an analog of an HIV protease cleavage site. It is a highly specific inhibitor of HIV-1 and HIV-2 proteases, and also inhibits CYTOCHROME P-450 CYP3A.
DESCRIPTION Saquinavir is an antiretroviral drug. (GtoPdb)
DESCRIPTION Saquinavir (Ro 31-8959) is an orally active HIV protease inhibitor that can be used in the research of AIDS. Saquinavir also has anti-inflammatory activity and can induce apoptosis of human red blood cells[1][2][3].
DESCRIPTION Saquinavir (Ro 31-8959) mesylate is an orally active HIV protease inhibitor that can be used in the research of AIDS. Saquinavir mesylate also has anti-inflammatory activity and can induce apoptosis of human red blood cells[1][2][3].
DESCRIPTION An HIV protease inhibitor. It is often used in combination with ritonavir or lopinavir/ritonavir for HIV/AIDS infection therapy. (BOC Sciences Bioactive Compounds)
DESCRIPTION Aldehyde oxidase substrate; PDE inhibitor (Tocris Bioactive Compound Library)
DESCRIPTION HIV protease inhibitor (Tocriscreen Plus)
Cell lines
8
Organisms
7
Compound Sets
30
AdooQ Bioactive Compound Library
A11378
BOC Sciences Bioactive Compounds
saquinavir-cas-127779-20-8-item-84-82825
Cayman Chemical Bioactives
9001893
28906
ChEMBL Approved Drugs
CHEMBL114
CHEMBL282042
ChEMBL Drugs
CHEMBL114
CHEMBL282042
Concise Guide to Pharmacology 2017/18
4813
Concise Guide to Pharmacology 2019/20
4813
Concise Guide to Pharmacology 2021/22
4813
Concise Guide to Pharmacology 2023/24
4813
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
DB01232
DrugBank Approved Drugs
DB01232
DrugCentral
2422
DrugCentral Approved Drugs
2422
DrugMAP
DMG814N
DrugMAP Approved Drugs
DMG814N
Guide to Pharmacology
4813
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL114
MedChem Express Bioactive Compound Library
HY-17007
HY-17003
NCATS Inxight Approved Drugs
L3JE09KZ2F
NIH Clinical Collections (NCC)
NPC Screening Collection
Pandemic Response Box
Prestwick Chemical Library
ReFrame library
Selleckchem Bioactive Compound Library
saquinavir
saquinavir-mesylate
Tocris Bioactive Compound Library
4418
Tocriscreen Plus
4418
Withdrawn 2.0
EMA38
External IDs
72
Properties
(calculated by RDKit )
Molecular Weight
670.38
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
5
Rotatable Bonds
12
Ring Count
5
Aromatic Ring Count
3
cLogP
3.09
TPSA
166.75
Fraction CSP3
0.5
Chiral centers
6.0
Largest ring
6.0
QED
0.2
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target Type
Enzymes
Primary Target
Other Proteases
MOA
Inhibitor
HIV Protease inhibitor
Indication
human immunodeficiency virus (HIV-1)
Target
CYP3A4
Apoptosis
Calcium Channel
HIV
HIV Protease
Interleukin Related
JNK
NO Synthase
p38 MAPK
Reactive Oxygen Species (ROS)
Toll-like Receptor (TLR)
Reactive Oxygen Species
ATC
J05AE01
Therapeutic Class
Anti-HIV Agents
Pathway
Anti-infection
Immunology/Inflammation
MAPK/ERK Pathway
Membrane Transporter/Ion Channel
Metabolic Enzyme/Protease
Neuronal Signaling
NF-κB
NF-¦ÊB
Solubility
In Vitro:<br/>DMSO: 100 mg/mL (149.07 mM
Need ultrasonic)<br/>In Vivo:<br/>1.Add each solvent one by one: 10% DMSO >> 90% (20% SBE-β-CD in saline)<br/>Solubility: ≥ 2.5 mg/mL (3.73 mM)
Clear solution<br/>2.Add each solvent one by one: 10% DMSO >> 40% PEG300 >> 5% Tween-80 >> 45% saline<br/>Solubility: ≥ 2.5 mg/mL (3.73 mM)
Clear solution<br/>3.Add each solvent one by one: 10% DMSO >> 90% corn oil<br/>Solubility: ≥ 2.5 mg/mL (3.73 mM)
Clear solution
Source data