Drug Information

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 [ICD9: 279.3; ICD10:B20-B26] Approved [468045], [550326]
Therapeutic Class
Anti-HIV Agents
Company
Hoffmann-La Roche pharmaceutical company
Structure
Download
2D MOL

3D MOL
Formula
C38H50N6O5
InChI
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
441243
PubChem Substance ID
596481, 830611, 838962, 7847495, 7890157, 7890295, 7980558, 8030420, 10298771, 11467142, 11468262, 11486850, 14790389, 14912870, 24424137, 24424140, 24424146, 24424150, 26706895, 36885127, 46392170, 46394116, 46394117, 47720800, 47869868, 48169598, 48243608, 49666064, 49699303, 49743129, 49743137, 49746604, 50070617, 50105601, 53790242, 56320473, 57403600, 74519778, 85177047, 85788913, 92715215, 93166481, 93167028, 93617413, 93617549, 99453891, 103179606, 104624996, 104829254, 117695825
SuperDrug ATC ID
J05AE01
SuperDrug CAS ID
cas=127779208
Target and Pathway
Target(s) HIV protease Target Info Inhibitor [536954]
References
Ref 468045(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 550326Approved antiretroviral drugs. Antiretroviral Drugs. Company report of AVERT. 2009.
Ref 536954PL-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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