Detailed information for compound 1527053

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 358.349 | Formula: C17H18N4O5
  • H donors: 1 H acceptors: 3 LogP: 0.53 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CO/N=C\1/[C@H]2O[C@@H]2[C@H]([C@H]2[C@H]1CCn1n2c(=O)n(c1=O)c1ccccc1)O
  • InChi: 1S/C17H18N4O5/c1-25-18-11-10-7-8-19-16(23)20(9-5-3-2-4-6-9)17(24)21(19)12(10)13(22)15-14(11)26-15/h2-6,10,12-15,22H,7-8H2,1H3/b18-11+/t10-,12+,13-,14+,15+/m0/s1
  • InChiKey: FKSWUQDKKVHBSZ-XFPLGFATSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus lysine specific histone demethylase 1A 0.0162 0.1793 0.1894
Trichomonas vaginalis heat shock protein, putative 0.0026 0.0209 0.2398
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0162 0.1793 1
Mycobacterium ulcerans oxidoreductase 0.0162 0.1793 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0131 0.1181
Leishmania major heat shock protein 83-1 0.0033 0.0287 0.1313
Echinococcus granulosus heat shock protein 90 0.0033 0.0287 0.0249
Toxoplasma gondii heat shock protein 90, putative 0.0033 0.0287 0.1282
Chlamydia trachomatis protoporphyrinogen oxidase 0.0162 0.1793 1
Echinococcus granulosus heat shock protein 0.0033 0.0287 0.0249
Leishmania major heat shock protein 83-1 0.0033 0.0287 0.1313
Echinococcus granulosus dnaJ subfamily B 0.0422 0.4834 0.5216
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0128 0.0396
Plasmodium falciparum FAD-dependent monooxygenase, putative 0.0065 0.0661 0.347
Schistosoma mansoni ap endonuclease 0.0019 0.0128 0.0139
Trypanosoma cruzi hypothetical protein, conserved 0.0065 0.0661 0.347
Mycobacterium tuberculosis Probable oxidoreductase 0.0065 0.0661 0.3201
Echinococcus granulosus lysine specific histone demethylase 1A 0.0796 0.9212 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0131 0.1181
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0015 0.0072 0.0014
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0796 0.9212 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0131 0.0142
Plasmodium vivax endoplasmin, putative 0.0033 0.0287 0.1313
Echinococcus multilocularis heat shock protein 90 0.0033 0.0287 0.0249
Trypanosoma brucei Heat shock protein 83, putative 0.0033 0.0287 0.3785
Trichomonas vaginalis conserved hypothetical protein 0.0067 0.0689 1
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0131 0.0014
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0125 0.1359 0.1475
Toxoplasma gondii SWIRM domain-containing protein 0.0067 0.0689 0.3545
Onchocerca volvulus 0.0059 0.0589 0.0532
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0131 0.0409
Trypanosoma cruzi heat shock protein 90, putative 0.0026 0.0209 0.086
Mycobacterium ulcerans hypothetical protein 0.0065 0.0661 0.3201
Echinococcus multilocularis endoplasmin 0.0026 0.0209 0.0163
Plasmodium falciparum endoplasmin, putative 0.002 0.0138 0.0453
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0796 0.9212 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0131 0.0071
Trichomonas vaginalis heat shock protein, putative 0.0026 0.0209 0.2398
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0026 0.0209 0.1509
Leishmania major UDP-galactopyranose mutase 0.0162 0.1793 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0111 0.1203 0.6441
Leishmania major hypothetical protein, conserved 0.0065 0.0661 0.347
Brugia malayi Endoplasmin precursor 0.0033 0.0287 0.0229
Wolbachia endosymbiont of Brugia malayi 2-polyprenyl-6-methoxyphenol 4-hydroxylase 0.0065 0.0661 1
Mycobacterium ulcerans oxidoreductase GMC-type 0.0065 0.0661 0.3201
Onchocerca volvulus 0.0864 1 1
Trypanosoma cruzi heat shock protein 85, putative 0.0033 0.0287 0.1313
Leishmania major heat shock protein 83-1 0.0033 0.0287 0.1313
Echinococcus granulosus protein MICAL 3 0.0065 0.0661 0.0657
Mycobacterium tuberculosis Possible oxidoreductase 0.0065 0.0661 0.3201
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0026 0.0209 0.086
Trypanosoma cruzi UDP-galactopyranose mutase 0.0162 0.1793 1
Giardia lamblia Heat shock protein HSP 90-alpha 0.0033 0.0287 0.2835
Trypanosoma brucei heat shock protein 84, putative 0.0014 0.006 0.0002
Leishmania major heat shock protein 83-1 0.0033 0.0287 0.1313
Trichomonas vaginalis conserved hypothetical protein 0.0067 0.0689 1
Toxoplasma gondii FAD binding domain-containing protein 0.0065 0.0661 0.3388
Plasmodium vivax heat shock protein 86, putative 0.0033 0.0287 0.1313
Plasmodium vivax hypothetical protein, conserved 0.0065 0.0661 0.347
Loa Loa (eye worm) histone methyltransferase 0.0018 0.0114 0.0055
Mycobacterium ulcerans oxidoreductase 0.0065 0.0661 0.3201
Leishmania major heat shock protein 83-1 0.0033 0.0287 0.1313
Schistosoma mansoni heat shock protein 0.0014 0.006 0.0065
Leishmania major heat shock protein 83-1 0.0033 0.0287 0.1313
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0131 0.1181
Trypanosoma cruzi Heat shock protein 83, putative 0.0033 0.0287 0.1313
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0131 0.0078
Schistosoma mansoni endoplasmin 0.0033 0.0287 0.0312
Echinococcus multilocularis dna polymerase kappa 0.002 0.0131 0.0078
Leishmania major heat shock protein 83-1 0.0033 0.0287 0.1313
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0015 0.0072 0.0078
Trypanosoma cruzi heat shock protein 90, putative 0.0033 0.0287 0.1313
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0131 0.1181
Loa Loa (eye worm) hypothetical protein 0.0229 0.2581 0.2537
Schistosoma mansoni monoxygenase 0.0065 0.0661 0.0718
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0128 0.0396
Echinococcus multilocularis protein MICAL 3 0.0065 0.0661 0.0657
Schistosoma mansoni amine oxidase 0.0162 0.1793 0.1947
Mycobacterium tuberculosis Possible oxidoreductase 0.0065 0.0661 0.3201
Toxoplasma gondii heat shock protein HSP90 0.0033 0.0287 0.1282
Schistosoma mansoni DNA polymerase eta 0.002 0.0131 0.0142
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0131 0.0409
Leishmania major heat shock protein 83-1 0.0033 0.0287 0.1313
Echinococcus multilocularis heat shock protein 0.0033 0.0287 0.0249
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0131 0.0014
Brugia malayi F/Y-rich N-terminus family protein 0.0018 0.0111 0.0052
Trypanosoma brucei heat shock protein, putative 0.0033 0.0287 0.3785
Brugia malayi hypothetical protein 0.0162 0.1793 0.1744
Schistosoma mansoni hypothetical protein 0.0172 0.1913 0.2076
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0026 0.0209 0.0163
Leishmania major hypothetical protein, conserved 0.0065 0.0661 0.347
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0131 0.0409
Trypanosoma brucei heat shock protein, putative 0.0033 0.0287 0.3785
Brugia malayi amine oxidase, flavin-containing family protein 0.0229 0.2581 0.2537
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0026 0.0209 0.0483
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0162 0.1793 1
Echinococcus granulosus heat shock protein 90 0.0026 0.0209 0.0163
Trypanosoma brucei heat shock protein, putative 0.0033 0.0287 0.3785
Trypanosoma cruzi heat shock protein 85, putative 0.0026 0.0209 0.086
Loa Loa (eye worm) hypothetical protein 0.0162 0.1793 0.1744
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0131 0.0409
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0162 0.1793 1
Trypanosoma brucei heat shock protein 90, putative 0.0033 0.0287 0.3785
Echinococcus multilocularis ubiquinone biosynthesis monooxygenase COQ6 0.0065 0.0661 0.0657
Brugia malayi heat shock protein 90 0.0033 0.0287 0.0229
Leishmania major heat shock protein 83-1 0.0033 0.0287 0.1313
Echinococcus multilocularis 0.0162 0.1793 0.1894
Echinococcus granulosus dna polymerase kappa 0.002 0.0131 0.0078
Schistosoma mansoni amine oxidase 0.0162 0.1793 0.1947
Trypanosoma brucei heat shock protein, putative 0.0033 0.0287 0.3785
Echinococcus granulosus cpg binding protein 0.0062 0.0628 0.0621
Schistosoma mansoni cpg binding protein 0.0059 0.0589 0.0639
Echinococcus multilocularis dnaJ subfamily B 0.0422 0.4834 0.5216
Mycobacterium ulcerans monoamine oxidase 0.0162 0.1793 1
Leishmania major DNA polymerase kappa, putative 0.002 0.0131 0.0409
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0131 0.1181
Mycobacterium ulcerans hypothetical protein 0.0065 0.0661 0.3201
Echinococcus granulosus mixed lineage leukemia protein mll 0.0015 0.0072 0.0014
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0018 0.0114 0.006
Plasmodium vivax hypothetical protein, conserved 0.0162 0.1793 1
Schistosoma mansoni heat shock protein 0.0033 0.0287 0.0312
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0131 0.0071
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0131 0.1181
Mycobacterium ulcerans heat shock protein 90 0.0026 0.0209 0.0483
Plasmodium vivax hypothetical protein, conserved 0.0162 0.1793 1
Trichomonas vaginalis heat shock protein, putative 0.0014 0.006 0.0038
Mycobacterium ulcerans FAD-dependent oxidoreductase 0.0065 0.0661 0.3201
Leishmania major heat shock protein 83-1 0.0033 0.0287 0.1313
Brugia malayi SWIRM domain containing protein 0.0067 0.0689 0.0633
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0128 0.1144
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0131 0.0014
Leishmania major heat shock protein 83-1 0.0033 0.0287 0.1313
Loa Loa (eye worm) heat shock protein 90 0.0033 0.0287 0.0229
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0131 0.0409
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0128 0.0396
Mycobacterium tuberculosis Possible oxidoreductase 0.0162 0.1793 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0128 0.1125
Echinococcus granulosus endoplasmin 0.0026 0.0209 0.0163
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0128 0.0396
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0128 0.1091
Giardia lamblia hypothetical protein 0.0067 0.0689 1
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0131 0.1181
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0128 0.0069
Echinococcus granulosus geminin 0.0172 0.1913 0.2025
Entamoeba histolytica heat shock protein 90, putative 0.0033 0.0287 0.3617
Loa Loa (eye worm) hypothetical protein 0.0162 0.1793 0.1744
Schistosoma mansoni heat shock protein 0.0033 0.0287 0.0312
Loa Loa (eye worm) CXXC zinc finger family protein 0.0059 0.0589 0.0532
Schistosoma mansoni cpg binding protein 0.0062 0.0628 0.0682
Trichomonas vaginalis heat shock protein, putative 0.0033 0.0287 0.3641
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0131 0.1161
Echinococcus granulosus dna polymerase eta 0.002 0.0131 0.0078
Trypanosoma brucei heat shock protein, putative 0.0033 0.0287 0.3785
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0131 0.1181
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0165 0.1835 1
Treponema pallidum heat shock protein 90 0.0026 0.0209 1
Trypanosoma brucei heat shock protein, putative 0.0033 0.0287 0.3785
Schistosoma mansoni hypothetical protein 0.0172 0.1913 0.2076
Loa Loa (eye worm) hypothetical protein 0.0067 0.0689 0.0633
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0128 0.0075
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0128 0.0396
Trypanosoma brucei Monooxygenase, putative 0.0065 0.0661 1
Echinococcus multilocularis dna polymerase eta 0.002 0.0131 0.0078
Schistosoma mansoni hypothetical protein 0.0065 0.0661 0.0718
Schistosoma mansoni ap endonuclease 0.0019 0.0128 0.0139
Echinococcus granulosus ubiquinone biosynthesis monooxygenase COQ6 0.0065 0.0661 0.0657
Schistosoma mansoni cpg binding protein 0.0062 0.0628 0.0682
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0015 0.0072 0.0014
Giardia lamblia Heat shock protein HSP 90-alpha 0.0026 0.0209 0.1434
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0131 0.0071
Trichomonas vaginalis heat shock protein, putative 0.0026 0.0209 0.2398
Entamoeba histolytica SWIRM domain protein 0.0067 0.0689 1
Leishmania major heat shock protein 83-1 0.0033 0.0287 0.1313
Entamoeba histolytica heat shock protein 90, putative 0.0033 0.0287 0.3617
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0162 0.1793 1
Leishmania major heat shock protein 83-1 0.0033 0.0287 0.1313
Loa Loa (eye worm) endoplasmin 0.0033 0.0287 0.0229
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0131 0.1181
Trichomonas vaginalis heat shock protein, putative 0.002 0.0138 0.1281
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0131 0.1161
Plasmodium vivax FAD-dependent monooxygenase, putative 0.0065 0.0661 0.347
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0018 0.0114 0.006
Loa Loa (eye worm) hypothetical protein 0.0864 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0131 0.0014
Entamoeba histolytica hypothetical protein 0.0067 0.0689 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0015 0.0072 0.0014
Toxoplasma gondii exonuclease III APE 0.0019 0.0128 0.0387
Brugia malayi CXXC zinc finger family protein 0.0059 0.0589 0.0532
Loa Loa (eye worm) hypothetical protein 0.0065 0.0661 0.0605
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0162 0.1793 1
Echinococcus multilocularis heat shock protein 90 0.0026 0.0209 0.0163
Trypanosoma cruzi heat shock protein 90, putative 0.0019 0.0129 0.0402
Trypanosoma cruzi heat shock protein 85, putative 0.0033 0.0287 0.1313
Trypanosoma cruzi heat shock protein 85, putative 0.0033 0.0287 0.1313
Mycobacterium ulcerans dehydrogenase 0.0162 0.1793 1
Echinococcus multilocularis protoporphyrinogen oxidase 0.0162 0.1793 0.1894
Leishmania major heat shock protein 83-1 0.0033 0.0287 0.1313
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0131 0.1181
Schistosoma mansoni SWI/SNF complex-related 0.0067 0.0689 0.0748
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0131 0.1181
Loa Loa (eye worm) hypothetical protein 0.0796 0.9212 0.9208
Echinococcus granulosus SWI:SNF complex subunit SMARCC2 0.0067 0.0689 0.0688
Schistosoma mansoni endoplasmin 0.0033 0.0287 0.0312
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0128 0.1125
Leishmania major heat shock protein 83-1 0.0033 0.0287 0.1313
Leishmania major DNA polymerase eta, putative 0.002 0.0131 0.0409
Echinococcus multilocularis cpg binding protein 0.0062 0.0628 0.0621
Leishmania major heat shock protein 83-1 0.0033 0.0287 0.1313
Trypanosoma brucei heat shock protein 90, putative 0.0033 0.0287 0.3785
Plasmodium falciparum heat shock protein 90 0.0033 0.0287 0.1313
Mycobacterium ulcerans oxidoreductase 0.0065 0.0661 0.3201
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0131 0.0078
Echinococcus multilocularis SWI:SNF complex subunit SMARCC2 0.0067 0.0689 0.0688
Toxoplasma gondii histone lysine-specific demethylase 0.0162 0.1793 0.9764
Mycobacterium ulcerans FAD-linked oxidoreductase 0.0065 0.0661 0.3201
Mycobacterium tuberculosis Probable oxidoreductase 0.0065 0.0661 0.3201
Mycobacterium ulcerans membrane-associated oxidoreductase 0.0065 0.0661 0.3201
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0131 0.0142
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0162 0.1793 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0131 0.0071
Trypanosoma brucei heat shock protein, putative 0.0033 0.0287 0.3785
Entamoeba histolytica SWIRM domain protein 0.0067 0.0689 1
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0162 0.1793 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0128 0.0075
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.0131 0.1128
Mycobacterium leprae possibleputative FAD-linked oxidoreductase 0.0065 0.0661 0.2856
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0131 0.1181
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0128 0.0069
Schistosoma mansoni hypothetical protein 0.0422 0.4834 0.5247
Giardia lamblia Grp94/Hsp90 0.0026 0.0209 0.1434
Trypanosoma brucei heat shock protein, putative 0.0033 0.0287 0.3785
Giardia lamblia DINP protein human, muc B family 0.002 0.0131 0.0041
Mycobacterium tuberculosis Possible oxidoreductase 0.0065 0.0661 0.3201
Toxoplasma gondii FAD binding domain-containing protein 0.0065 0.0661 0.3388
Mycobacterium ulcerans hypothetical protein 0.0065 0.0661 0.3201
Leishmania major heat shock protein 83-1 0.0033 0.0287 0.1313
Trypanosoma cruzi Monooxygenase, putative 0.0065 0.0661 0.347
Mycobacterium tuberculosis Conserved hypothetical protein 0.0162 0.1793 1
Trypanosoma brucei kynurenine 3-monooxygenase, putative 0.0065 0.0661 1
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0162 0.1793 0.1947
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0131 0.1181
Trichomonas vaginalis endoplasmin, putative 0.002 0.0138 0.1281
Loa Loa (eye worm) hypothetical protein 0.0796 0.9212 0.9208
Echinococcus multilocularis geminin 0.0172 0.1913 0.2025
Trypanosoma cruzi UDP-galactopyranose mutase 0.0162 0.1793 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0131 0.1181
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0162 0.1793 1
Plasmodium falciparum protoporphyrinogen oxidase 0.0162 0.1793 1
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.0131 0.0409
Trypanosoma brucei unspecified product 0.002 0.0131 0.1181

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 0.031622777 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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