General
Preferred name
INDINAVIR
Synonyms
INDINAVIR SULFATE ()
MK-639 ()
L735524 ()
Indinavir (sulfate) ()
Crixivan, L-735524, MK-639 ()
Crixivan ()
L-735,524 ()
Indinaviri sulfas ()
L-735524 ()
Indinavir sulfate ethanolate ()
NSC-697197 ()
Indinavir sulphate ()
Indinavir monohydrate ()
Indinavir system suitability ()
Indinavir-d6 ()
P&D ID
PD010161
CAS
157810-81-6
150378-17-9
185897-02-3
Tags
available
drug
Approved by
FDA
First approval
1996
Drug indication
Human immunodeficiency virus infection
Antiviral
Drug Status
approved
withdrawn
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)
DESCRIPTION Indinavir is an anti-HIV-1 agent. It inhibits the viral protease. (GtoPdb)
DESCRIPTION Indinavir is a protease inhibitor used as a component of highly active antiretroviral therapy to treat HIV infection and AIDS. It inhibits the HIV-1 protease with an IC50 value of 0.41 nM and Ki value of 0.24 nM. However, indinavir demonstrates up to a 50-fold loss in potency against the HIV-1 protease drug-resistant mutations PRL24I, PRI50V, and PRG73S (Kis = 1.4, 27, and 0.55 nM). (BOC Sciences Bioactive Compounds)
DESCRIPTION Indinavir is a member of the novel hydroxyaminopentane amide class of HIV-1 protease inhibitors. Indinavir is used as an antiviral. (BOC Sciences Bioactive Compounds)
Cell lines
0
Organisms
3
Compound Sets
20
BOC Sciences Bioactive Compounds
indinavir-sulfate-cas-157810-81-6-340297
indinavir-cas-150378-17-9-item-84-59389
Cayman Chemical Bioactives
15150
29585
ChEMBL Approved Drugs
CHEMBL1735
CHEMBL115
ChEMBL Drugs
CHEMBL1735
CHEMBL115
Drug Repurposing Hub
DrugBank
DB00224
DrugBank Approved Drugs
DB00224
DrugCentral
1437
DrugCentral Approved Drugs
1437
DrugMAP
DM0T3YH
DrugMAP Approved Drugs
DM0T3YH
Enamine BioReference Compounds
EU-OPENSCREEN Bioactive Compound Library
EOS100846
Guide to Pharmacology
12684
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL115
MedChem Express Bioactive Compound Library
HY-B0689A
NIH Clinical Collections (NCC)
NPC Screening Collection
Prestwick Chemical Library
Selleckchem Bioactive Compound Library
indinavir-sulfate
External IDs
81
Properties
(calculated by RDKit )
Molecular Weight
613.36
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
4
Rotatable Bonds
11
Ring Count
5
Aromatic Ring Count
3
cLogP
2.87
TPSA
118.03
Fraction CSP3
0.47
Chiral centers
5.0
Largest ring
6.0
QED
0.26
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
HIV Protease
HIV
CYP3A4, CYP3A5, CYP3A7
MMP
SARS-CoV
COVID-19,HIV Protease
Pathway
Metabolic Enzyme/Protease
Anti-infection
Apoptosis
Indication
human immunodeficiency virus (HIV-1)
MOA
HIV Protease inhibitor
Therapeutic Class
Anti-HIV Agents
Solubility
In vitro:<br/>10 mM in DMSO
In Vitro:<br/>DMSO : ≥ 100 mg/mL (140.48 mM)<br/>H2O : 50 mg/mL (70.24 mM
Need ultrasonic)
Source data