nelfinavir

chemical compound

Wikidata entity: Q423366

C₃₂H₄₅N₃O₄S (P274)


Wikimedia Commons category is Nelfinavir

Quantities

P4250defined daily dose2.25
P2067mass567.313

P3780 active ingredient in ... Q29006653 (Viracept) Viracept
P233 canonical SMILES String CC1=C(C=CC=C1O)C(=O)NC(CSC2=CC=CC=C2)C(CN3CC4CCCCC4CC3C(=O)NC(C)(C)C)O ???
P972 catalog ... Q90481889 (CAS COVID-19 Anti-Viral Candidate Compounds) CAS COVID-19 Anti-Viral Candidate Compounds
P373 Commons category String Nelfinavir ???
P366 has use ... Q12140 (medication) medication
P31 instance of ... Q113145171 (type of chemical entity) type of chemical entity
P2017 isomeric SMILES String CC1=C(C=CC=C1O)C(=O)N[C@@H](CSC2=CC=CC=C2)[C@@H](CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O ???
P8026 LiverTox likelihood score ... Q83284515 (LiverTox toxicity likelihood category D) LiverTox toxicity likelihood category D
P176 manufacturer ... Q206921 (Pfizer) Pfizer
P2175 medical condition treated ... Q12199 (AIDS) AIDS
P2175 medical condition treated ... Q18556697 (HIV infection) HIV infection
P3489 pregnancy category ... Q28123616 (US pregnancy category B) US pregnancy category B
P769 significant drug interaction ... Q410412 (carbamazepin) carbamazepin
P769 significant drug interaction ... Q3935297 (rifapentine) rifapentine
P769 significant drug interaction ... Q419769 (bosentan) bosentan
P769 significant drug interaction ... Q422652 (rifampicin) rifampicin
P769 significant drug interaction ... Q1135705 (rifabutin) rifabutin
P3364 stereoisomer of ... Q27166487 ((3S,4aR,8aR)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylsulfanylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide) (3S,4aR,8aR)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylsulfanylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
P279 subclass of ... Q126615298 (N-tert-butyl-2-[2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylsulfanylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide) N-tert-butyl-2-[2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylsulfanylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
P2868 subject has role ... Q55761529 (protease inhibitor) protease inhibitor
P2275 World Health Organisation international non-proprietary name Monolingualtext nelfinavir ???
External Ids
P267ATC codeJ05AE04
P231CAS Registry Number159989-64-7
P683ChEBI ID7496
P592ChEMBL IDCHEMBL584
P661ChemSpider ID57718
P715DrugBank IDDB00220
P11198DrugCentral ID1893
P8494DSSTOX compound identifierDTXCID3015080
P3117DSSTox substance IDDTXSID5035080
P9635electronic Essential Medicines List medicine ID488
P646Freebase ID/m/05gw2j
P595Guide to Pharmacology Ligand ID11090
P2057Human Metabolome Database IDHMDB0014365
P234InChIInChI=1S/C32H45N3O4S/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/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)/t22-,23+,26-,27-,29+/m0/s1
P235InChIKeyQAGYKUNXZHXKMR-HKWSIXNMSA-N
P8408KBpedia IDNelfinavir
P665KEGG IDD08259
P665KEGG IDC07257
P7830LiverTox IDNelfinavir
P6689MassBank accession IDMSBNK-Waters-WA000755
P6689MassBank accession IDMSBNK-Waters-WA000756
P6689MassBank accession IDMSBNK-Waters-WA000757
P6689MassBank accession IDMSBNK-Waters-WA000758
P6689MassBank accession IDMSBNK-Waters-WA000759
P6689MassBank accession IDMSBNK-Waters-WA000760
P10245MedlinePlus drug identifiera697034
P6694MeSH concept IDM0029531
P486MeSH descriptor IDD019888
P672MeSH tree codeD03.633.100.531.520
P6366Microsoft Academic ID (discontinued)2781160516
P2115NDF-RT IDN0000022055
P2065NIAID ChemDB ID028590
P2840NSC number747167
P10283OpenAlex IDC2781160516
P3636PDB ligand ID1UN
P638PDB structure ID3EL5
P638PDB structure ID2Q64
P638PDB structure ID3EL0
P638PDB structure ID3EKX
P638PDB structure ID2PYM
P638PDB structure ID2PYN
P638PDB structure ID1OHR
P638PDB structure ID2Q63
P638PDB structure ID2QAK
P638PDB structure ID2R5Q
P11199Probes And Drugs IDPD008635
P662PubChem CID64143
P1579Reaxys registry number7419619
P3345RxNorm CUI134527
P2877SureChEMBL ID38218
P2892UMLS CUIC0298026
P2892UMLS CUIC0525005
P11089UniChem compound ID566356
P652UNIIHO3OGH5D7I
P11143WikiProjectMed IDNelfinavir
P8814WordNet 3.1 Synset ID03823370-n

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