Nelfinavir mesylateProduct ingredient for Nelfinavir
- Name
- Nelfinavir mesylate
- Drug Entry
- Nelfinavir
Nelfinavir is a potent HIV-1 protease inhibitor. It is used in combination with other antiviral drugs in the treatment of HIV in both adults and children. Nelfinavir inhibits the HIV viral proteinase enzyme which prevents cleavage of the gag-pol polyprotein, resulting in noninfectious, immature viral particles.6
- Accession Number
- DBSALT000885
- Structure
Structure for Nelfinavir mesylate (DBSALT000885)
- Synonyms
- Nelfinavir mesilate
- UNII
- 98D603VP8V
- CAS Number
- 159989-65-8
- Weight
- Average: 663.89
Monoisotopic: 663.301193278 - Chemical Formula
- C33H49N3O7S2
- InChI Key
- NQHXCOAXSHGTIA-SKXNDZRYSA-N
- InChI
- InChI=1S/C32H45N3O4S.CH4O3S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4;1-5(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39);1H3,(H,2,3,4)/t22-,23+,26-,27-,29+;/m0./s1
- IUPAC Name
- (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-{[hydroxy(3-hydroxy-2-methylphenyl)methylidene]amino}-4-(phenylsulfanyl)butyl]-decahydroisoquinoline-3-carboximidic acid; methanesulfonic acid
- SMILES
- CS(O)(=O)=O.[H][C@@](O)(CN1C[C@@]2([H])CCCC[C@@]2([H])C[C@@]1([H])C(O)=NC(C)(C)C)[C@]([H])(CSC1=CC=CC=C1)N=C(O)C1=C(C)C(O)=CC=C1
- External Links
- KEGG Drug
- D00899
- KEGG Compound
- C08091
- PubChem Compound
- 64142
- ChemSpider
- 57717
- ChEBI
- 7497
- ChEMBL
- CHEMBL1205
- Wikipedia
- Nelfinavir
- Predicted Properties
Property Value Source Water Solubility 0.00201 mg/mL ALOGPS logP 4.68 ALOGPS logP 3.88 Chemaxon logS -5.4 ALOGPS pKa (Strongest Acidic) 1.47 Chemaxon pKa (Strongest Basic) 9.08 Chemaxon Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 108.88 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 163.72 m3·mol-1 Chemaxon Polarizability 64.1 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon