Drug General Information
Drug ID
D0WI3T
Former ID
DAP000171
Drug Name
Saquinavir
Synonyms
Fortovase; Invirase; ROC; SQV; Saguinavir; Ro 318959; Fortovase (TN); Fortovase(TM); Invirase (TN); Ro 31-8959; Invirase(TM)(monomesylate); Ro-31-8959; Saquinavir (JAN/USP/INN); QNC-ASN-HPH-DIQ-NTB; CIS-N-TERT-BUTYL-DECAHYDRO-2-[2(R)-HYDROXY-4-PHENYL-3(S)-[[N-2-QUINOLYLCARBONYL-L-ASPARAGINYL]AMINO]BUTYL]-(4AS)-ISOQUINOLINE-3(S)-CARBOXAMIDE; (2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide; (2s)-N-[(2s,3r)-4-[(2s,3s,4as,8as)-3-(Tert-Butylcarbamoyl)-3,4,4a,5,6,7,8,8a-Octahydro-1h-Isoquinolin-2-Yl]-3-Hydroxy-1-Phenyl-Butan-2-Yl]-2-(Quinolin-2-Ylcarbonylamino)butanediamide
Drug Type
Small molecular drug
Indication Human immunodeficiency virus infection [ICD-11: 1C62; ICD-9: 279.3] Approved [1], [2]
Therapeutic Class
Anti-HIV Agents
Company
Hoffmann-La Roche pharmaceutical company
Structure
Download
2D MOL

3D MOL

Formula
C38H50N6O5
InChI
1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1
InChIKey
QWAXKHKRTORLEM-UGJKXSETSA-N
CAS Number
CAS 127779-20-8
PubChem Compound ID
PubChem Substance ID
SuperDrug ATC ID
J05AE01
SuperDrug CAS ID
cas=127779208
Target and Pathway
Target(s) Human immunodeficiency virus Protease (HIV PR) Target Info Inhibitor [3]
References
REF 1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4813).
REF 2 Approved antiretroviral drugs. Antiretroviral Drugs. Company report of AVERT. 2009.
REF 3 PL-100, a novel HIV-1 protease inhibitor displaying a high genetic barrier to resistance: an in vitro selection study. J Med Virol. 2008 Dec;80(12):2053-63.

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