Detailed information for compound 514830

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 401.458 | Formula: C24H23N3O3
  • H donors: 1 H acceptors: 3 LogP: 4.41 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)[N+](=O)[O-])Nc1ccc(cc1)CCN1CCc2c(C1)cccc2
  • InChi: 1S/C24H23N3O3/c28-24(20-7-11-23(12-8-20)27(29)30)25-22-9-5-18(6-10-22)13-15-26-16-14-19-3-1-2-4-21(19)17-26/h1-12H,13-17H2,(H,25,28)
  • InChiKey: GYKIUADIZSYZGZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATP-binding cassette, sub-family B (MDR/TAP), member 1 Starlite/ChEMBL References
Homo sapiens ATP-binding cassette, sub-family G (WHITE), member 2 (Junior blood group) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein Get druggable targets OG5_126574 All targets in OG5_126574
Leishmania braziliensis ABC transporter, putative Get druggable targets OG5_126574 All targets in OG5_126574
Schistosoma japonicum Multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
Plasmodium yoelii multidrug resistance protein Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania mexicana p-glycoprotein Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis taga, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum ATP-binding cassette sub-family G member 1, putative Get druggable targets OG5_126574 All targets in OG5_126574
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 Get druggable targets OG5_126596 All targets in OG5_126596
Entamoeba histolytica P-glyco protein 6, putative Get druggable targets OG5_126596 All targets in OG5_126596
Entamoeba histolytica ABC transporter, putative Get druggable targets OG5_126574 All targets in OG5_126574
Schistosoma japonicum Bile salt export pump, putative Get druggable targets OG5_126596 All targets in OG5_126596
Mycobacterium tuberculosis Probable conserved transmembrane ATP-binding protein ABC transporter Get druggable targets OG5_126574 All targets in OG5_126574
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus ATP binding cassette sub family G Get druggable targets OG5_126574 All targets in OG5_126574
Plasmodium falciparum ABC transporter G family member 2 Get druggable targets OG5_126574 All targets in OG5_126574
Loa Loa (eye worm) ABC transporter Get druggable targets OG5_126574 All targets in OG5_126574
Trichomonas vaginalis multidrug resistance protein 1, 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Neospora caninum hypothetical protein Get druggable targets OG5_126574 All targets in OG5_126574
Echinococcus multilocularis multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Candida albicans N terminal 2/3 of Opaque-specific ABC transporter Get druggable targets OG5_126574 All targets in OG5_126574
Candida albicans multidrug resistance protein CDR1 originally isolated by ability to functionally substitute for S. cerevisiae PDR5 (YOR153W) ABC Get druggable targets OG5_126574 All targets in OG5_126574
Leishmania donovani p-glycoprotein Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Plasmodium falciparum multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis ATP binding cassette sub family G Get druggable targets OG5_126574 All targets in OG5_126574
Leishmania donovani ATP-binding cassette protein subfamily B, member 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania mexicana ABC transporter, putative Get druggable targets OG5_126574 All targets in OG5_126574
Plasmodium knowlesi ABC transporter G family member 2, putative Get druggable targets OG5_126574 All targets in OG5_126574
Trichomonas vaginalis ABC transporter, half transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis ATP binding cassette sub family B Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis abcb9, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ATP-binding cassette transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis multidrug resistance protein 1, 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Candida albicans multidrug resistance ABC transporter similar to S. cerevisiae PDR5 (YOR153W) Get druggable targets OG5_126574 All targets in OG5_126574
Plasmodium berghei multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma mansoni hypothetical protein Get druggable targets OG5_126574 All targets in OG5_126574
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis abcb9, putative Get druggable targets OG5_126596 All targets in OG5_126596
Cryptosporidium hominis ATP-binding cassette protein 3 Get druggable targets OG5_126596 All targets in OG5_126596
Cryptosporidium parvum ABC transporter, AAA domain Get druggable targets OG5_126574 All targets in OG5_126574
Candida albicans similar to N terminus of CaP19.6000 multidrug resistance transporter CDR1 Get druggable targets OG5_126574 All targets in OG5_126574
Leishmania major ATP-binding cassette protein subfamily G, member 6, putative Get druggable targets OG5_126574 All targets in OG5_126574
Leishmania infantum ATP-binding cassette protein subfamily G, member 4, putative Get druggable targets OG5_126574 All targets in OG5_126574
Entamoeba histolytica P-glycoprotein-2 Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Trypanosoma brucei ABC transporter, putative Get druggable targets OG5_126574 All targets in OG5_126574
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Candida albicans similar to S. cerevisiae PDR5 (YOR153W) Get druggable targets OG5_126574 All targets in OG5_126574
Schistosoma japonicum ko:K05659 ATP-binding cassette, subfamily B (MDR/TAP), member 4, putative Get druggable targets OG5_126596 All targets in OG5_126596
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma mansoni ABC transporter Get druggable targets OG5_126574 All targets in OG5_126574
Candida albicans N terminal 2/3 of Opaque-specific ABC transporter Get druggable targets OG5_126574 All targets in OG5_126574
Trypanosoma cruzi ABC transporter, putative Get druggable targets OG5_126574 All targets in OG5_126574
Trichomonas vaginalis ATP-binding cassette transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) Get druggable targets OG5_126596 All targets in OG5_126596
Neospora caninum hypothetical protein Get druggable targets OG5_126596 All targets in OG5_126596
Entamoeba histolytica P-glycoprotein-2 Get druggable targets OG5_126596 All targets in OG5_126596
Brugia malayi multidrug resistance protein 3 Get druggable targets OG5_126596 All targets in OG5_126596
Candida albicans potential ABC transporter whose deletion does not affect fluconazole resistance Get druggable targets OG5_126574 All targets in OG5_126574
Candida albicans potential ABC transporter similar to S. cerevisiae YOL075C Get druggable targets OG5_126574 All targets in OG5_126574
Entamoeba histolytica P-glycoprotein-1 Get druggable targets OG5_126596 All targets in OG5_126596
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126596 All targets in OG5_126596
Neospora caninum ATP-binding cassette, sub-family B (MDR/TAP), member 4, related Get druggable targets OG5_126596 All targets in OG5_126596
Candida albicans potential ABC family transporter similar to S. cerevisiae YNR070W Get druggable targets OG5_126574 All targets in OG5_126574
Trichomonas vaginalis ATP-binding cassette transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Plasmodium vivax multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
Candida albicans identical to C terminus of nonallelic CaP19.919 Get druggable targets OG5_126574 All targets in OG5_126574
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania donovani ATP-binding cassette protein subfamily G, member 4, putative Get druggable targets OG5_126574 All targets in OG5_126574
Trichomonas vaginalis ATP-binding cassette transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) Get druggable targets OG5_126596 All targets in OG5_126596
Candida albicans multidrug resistance ABC transporter similar to S. cerevisiae PDR5 (YOR153W) Get druggable targets OG5_126574 All targets in OG5_126574
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trypanosoma brucei gambiense ABC transporter, putative Get druggable targets OG5_126574 All targets in OG5_126574
Schistosoma japonicum ATP-binding cassette sub-family B member 5, putative Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma mansoni multidrug resistance protein Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus 5'partial|ATP binding cassette sub family B Get druggable targets OG5_126596 All targets in OG5_126596
Candida albicans identical to C terminus of nonallelic CaP19.919 Get druggable targets OG5_126574 All targets in OG5_126574
Schistosoma mansoni multidrug resistance protein Get druggable targets OG5_126596 All targets in OG5_126596
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein Get druggable targets OG5_126596 All targets in OG5_126596
Brugia malayi ABC transporter family protein Get druggable targets OG5_126574 All targets in OG5_126574
Schistosoma japonicum Multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis multidrug resistance protein 1, 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma mansoni smdr2 Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis multidrug resistance protein 1, 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis ATP binding cassette sub family G Get druggable targets OG5_126574 All targets in OG5_126574
Schistosoma japonicum ko:K05681 ATP-binding cassette, subfamily G (WHITE), member 2, putative Get druggable targets OG5_126574 All targets in OG5_126574
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma mansoni multidrug resistance protein Get druggable targets OG5_126596 All targets in OG5_126596
Cryptosporidium parvum ATP-binding cassette transporter Get druggable targets OG5_126596 All targets in OG5_126596
Plasmodium vivax ABC transporter G family member 2, putative Get druggable targets OG5_126574 All targets in OG5_126574
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein Get druggable targets OG5_126574 All targets in OG5_126574
Leishmania major ATP-binding cassette protein subfamily G, member 4, putative Get druggable targets OG5_126574 All targets in OG5_126574
Leishmania major p-glycoprotein Get druggable targets OG5_126596 All targets in OG5_126596
Giardia lamblia ABC transporter Get druggable targets OG5_126574 All targets in OG5_126574
Leishmania braziliensis ATP-binding cassette protein, putative Get druggable targets OG5_126574 All targets in OG5_126574
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ATP-binding cassette transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ATP-binding cassette transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma mansoni ATP-binding cassette sub-family g2 (white protein) (abcg2) Get druggable targets OG5_126574 All targets in OG5_126574
Schistosoma japonicum Multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
Toxoplasma gondii ATP-binding cassette G family transporter ABCG84 Get druggable targets OG5_126574 All targets in OG5_126574
Trichomonas vaginalis multidrug resistance protein 1, 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis multidrug resistance protein 1, 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126596 All targets in OG5_126596
Loa Loa (eye worm) multidrug resistance protein 3 Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania braziliensis p-glycoprotein-like protein,ABC transporter-like protein,multidrug resistance protein-like protein Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis abcb9, putative Get druggable targets OG5_126596 All targets in OG5_126596
Entamoeba histolytica P-glycoprotein-2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum Multidrug resistance protein 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Candida albicans potential ABC family transporter similar to S. cerevisiae YNR070W Get druggable targets OG5_126574 All targets in OG5_126574
Echinococcus granulosus multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trypanosoma congolense ABC transporter, putative Get druggable targets OG5_126574 All targets in OG5_126574
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP Get druggable targets OG5_126596 All targets in OG5_126596
Candida albicans potential ABC transporter similar to S. cerevisiae YOL075C Get druggable targets OG5_126574 All targets in OG5_126574
Candida albicans similar to N terminus of CaP19.6000 multidrug resistance transporter CDR1 Get druggable targets OG5_126574 All targets in OG5_126574
Brugia malayi ABC transporter family protein Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis multidrug resistance protein 1, 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania infantum p-glycoprotein Get druggable targets OG5_126596 All targets in OG5_126596
Trypanosoma brucei ATP-binding cassette protein, putative Get druggable targets OG5_126574 All targets in OG5_126574
Leishmania infantum ATP-binding cassette protein subfamily B, member 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Entamoeba histolytica P-glycoprotein-5 Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum Multidrug resistance protein 3, putative Get druggable targets OG5_126596 All targets in OG5_126596
Plasmodium berghei ABC transporter G family member 2, putative Get druggable targets OG5_126574 All targets in OG5_126574
Candida albicans potential ABC transporter whose deletion does not affect fluconazole resistance Get druggable targets OG5_126574 All targets in OG5_126574
Echinococcus multilocularis multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Entamoeba histolytica P-glycoprotein 5, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis ATP binding cassette sub family G Get druggable targets OG5_126574 All targets in OG5_126574
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein Get druggable targets OG5_126574 All targets in OG5_126574
Candida albicans similar to S. cerevisiae PDR5 (YOR153W) Get druggable targets OG5_126574 All targets in OG5_126574
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Candida albicans potential ABC transporter similar to S. cerevisiae STE6 (YKL209C) involved in peptide pheromone export Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Candida albicans multidrug resistance protein CDR1 originally isolated by ability to functionally substitute for S. cerevisiae PDR5 (YOR153W) ABC Get druggable targets OG5_126574 All targets in OG5_126574
Echinococcus granulosus ATP binding cassette sub family G Get druggable targets OG5_126574 All targets in OG5_126574
Leishmania mexicana p-glycoprotein-like protein,ABC transporter-like protein,multidrug resistance protein-like protein Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum Multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trypanosoma congolense ATP-binding cassette protein, putative Get druggable targets OG5_126574 All targets in OG5_126574
Cryptosporidium hominis ABC transporter protein Get druggable targets OG5_126574 All targets in OG5_126574
Chlamydia trachomatis ABC transporter ATP binding protein/permease Get druggable targets OG5_126596 All targets in OG5_126596
Trypanosoma brucei gambiense ATP-binding cassette protein, putative Get druggable targets OG5_126574 All targets in OG5_126574
Echinococcus granulosus ATP binding cassette sub family G Get druggable targets OG5_126574 All targets in OG5_126574
Trichomonas vaginalis ABC transporter, half transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trypanosoma cruzi ATP-binding cassette protein, putative Get druggable targets OG5_126574 All targets in OG5_126574
Schistosoma japonicum Multidrug resistance protein 3, putative Get druggable targets OG5_126596 All targets in OG5_126596
Onchocerca volvulus Get druggable targets OG5_126596 All targets in OG5_126596
Plasmodium knowlesi multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei ABC transporter, putative ATP-binding cassette, sub-family G (WHITE), member 2 (Junior blood group) 611 aa 557 aa 28.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0007 0.00000045804 0.00000064136
Mycobacterium ulcerans orotate phosphoribosyltransferase 0.0021 0.166 0.1177
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0091 1 1
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0008 0.0068 0.0068
Loa Loa (eye worm) adenine phosphoribosyltransferase 0.0021 0.166 0.2325
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0091 1 1
Toxoplasma gondii orotate phosphoribosyltransferase 0.0021 0.166 0.166
Trypanosoma brucei Adenine phosphoribosyltransferase, putative 0.0021 0.166 0.166
Toxoplasma gondii eukaryotic initiation factor-4E, putative 0.0008 0.0068 0.0068
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0648 0.0648
Mycobacterium tuberculosis Adenine phosphoribosyltransferase Apt (APRT) (AMP diphosphorylase) (AMP pyrophosphorylase) (transphosphoribosidase) 0.0021 0.166 0.1904
Wolbachia endosymbiont of Brugia malayi amidophosphoribosyltransferase 0.0021 0.166 0.5
Brugia malayi orotate phosphoribosyltransferase family protein 0.0021 0.166 0.166
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0008 0.0068 0.0068
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.166 0.1904
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0648 0.0648
Giardia lamblia ABC transporter 0.0012 0.0514 0.0449
Echinococcus granulosus multidrug resistance protein 1 0.0013 0.0648 0.0648
Echinococcus multilocularis multidrug resistance protein 1 0.0009 0.0189 0.0189
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0648 0.0648
Schistosoma mansoni smdr2 0.0013 0.0648 0.0648
Entamoeba histolytica P-glyco protein 6, putative 0.0013 0.0648 0.082
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0067 0.7142 0.7142
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0648 0.0648
Trichomonas vaginalis hypoxanthine-guanine phosphoribosyltransferase, putative 0.0091 1 1
Loa Loa (eye worm) orotate phosphoribosyltransferase 0.0021 0.166 0.2325
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-4 0.0008 0.0068 0.0068
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0648 0.0648
Entamoeba histolytica P-glycoprotein-2, putative 0.0013 0.0648 0.082
Brugia malayi Adenine phosphoribosyltransferase 0.0021 0.166 0.166
Trypanosoma cruzi ATP-binding cassette protein, putative 0.0012 0.0547 0.0547
Mycobacterium tuberculosis Probable orotate phosphoribosyltransferase PyrE (OPRT) (oprtase) 0.0021 0.166 0.1904
Trichomonas vaginalis eukaryotic translation initiation factor 4E type, putative 0.0008 0.0068 0.0068
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0648 0.0648
Loa Loa (eye worm) hypothetical protein 0.0013 0.0615 0.0862
Echinococcus granulosus ATP binding cassette sub family G 0.0012 0.0547 0.0547
Mycobacterium tuberculosis Amidophosphoribosyltransferase PurF (glutamine phosphoribosylpyrophosphate amidotransferase) (ATASE) (gpatase) 0.0021 0.166 0.1904
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0648 0.0648
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0008 0.0068 0.0068
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0013 0.0648 0.0648
Leishmania major p-glycoprotein 0.0013 0.0648 0.0648
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0648 0.0648
Mycobacterium ulcerans hypothetical protein 0.0021 0.166 0.1177
Brugia malayi ABC transporter family protein 0.0013 0.0648 0.0648
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0021 0.166 0.166
Toxoplasma gondii ATP-binding cassette G family transporter ABCG84 0.0012 0.0547 0.0547
Trypanosoma brucei Eukaryotic translation initiation factor 4E-4 0.0008 0.0068 0.0068
Treponema pallidum adenine phosphoribosyltransferase 0.0021 0.166 0.5
Trypanosoma brucei orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0021 0.166 0.166
Echinococcus granulosus multidrug resistance protein 1 0.0013 0.0648 0.0648
Trichomonas vaginalis ABC transporter, putative 0.0013 0.0648 0.0648
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0067 0.7142 0.7142
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0067 0.7142 1
Loa Loa (eye worm) eukaryotic translation initiation factor 4E type 3 0.0008 0.0068 0.0096
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0648 0.0648
Leishmania major hypothetical protein, conserved 0.0008 0.0068 0.0068
Leishmania major hypoxanthine-guanine phosphoribosyltransferase 0.0091 1 1
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0021 0.166 0.166
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0008 0.0068 0.0068
Entamoeba histolytica P-glycoprotein-5 0.0013 0.0648 0.082
Plasmodium falciparum orotate phosphoribosyltransferase 0.0021 0.166 0.1603
Trichomonas vaginalis Ribose-phosphate pyrophosphokinase, putative 0.0021 0.166 0.166
Leishmania major eukaryotic translation initiation factor 4e, putative 0.0008 0.0068 0.0068
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0013 0.0648 0.0648
Schistosoma mansoni Adenine phosphoribosyltransferase 0.0021 0.166 0.166
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase 0.0091 1 1
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0091 1 1
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase 0.0091 1 1
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0008 0.0068 0.0068
Echinococcus multilocularis ATP binding cassette sub family G 0.0012 0.0547 0.0547
Echinococcus multilocularis transient receptor potential cation channel 0.0007 0.00000045804 0.00000045804
Trypanosoma cruzi Adenine phosphoribosyltransferase, putative 0.0021 0.166 0.166
Trypanosoma cruzi orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0021 0.166 0.166
Schistosoma mansoni hypothetical protein 0.001 0.0298 0.0298
Leishmania major eukaryotic translation initiation factor, putative 0.0008 0.0068 0.0068
Schistosoma mansoni transient receptor potential channel 0.0007 0.00000045804 0.00000045804
Schistosoma mansoni multidrug resistance protein 0.0013 0.0648 0.0648
Mycobacterium ulcerans bifunctional pyrimidine regulatory protein PyrR/uracil phosphoribosyltransferase 0.0021 0.166 0.1177
Trypanosoma brucei Adenine phosphoribosyltransferase, putative 0.0021 0.166 0.166
Schistosoma mansoni multidrug resistance protein 0.0013 0.0648 0.0648
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0013 0.0648 0.0648
Trypanosoma cruzi ABC transporter, putative 0.0012 0.0547 0.0547
Mycobacterium ulcerans hypoxanthine-guanine phosphoribosyltransferase Hpt 0.0091 1 1
Trichomonas vaginalis ABC transporter, putative 0.0013 0.0648 0.0648
Plasmodium falciparum multidrug resistance protein 1 0.0013 0.0648 0.0584
Echinococcus granulosus eukaryotic translation initiation factor 4E type 0.0008 0.0068 0.0068
Echinococcus granulosus adenine phosphoribosyltransferase 0.0021 0.166 0.166
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0008 0.0068 0.0068
Trypanosoma cruzi Eukaryotic translation initiation factor 4E type 5, putative 0.0008 0.0068 0.0068
Trichomonas vaginalis eukaryotic translation initiation factor 4E type, putative 0.0008 0.0068 0.0068
Giardia lamblia Adenine phosphoribosyltransferase 0.0021 0.166 0.1603
Loa Loa (eye worm) multidrug resistance protein 3 0.0013 0.0648 0.0908
Echinococcus multilocularis ATP binding cassette sub family G 0.0012 0.0547 0.0547
Mycobacterium tuberculosis Hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (imp pyrophosphor 0.007 0.7451 1
Leishmania major eukaryotic translation initiation factor-like 0.0067 0.7142 0.7142
Echinococcus granulosus transient receptor potential cation channel 0.0007 0.00000045804 0.00000045804
Leishmania major adenine phosphoribosyltransferase 0.0021 0.166 0.166
Trichomonas vaginalis hypothetical protein 0.0008 0.0068 0.0068
Echinococcus granulosus eukaryotic translation initiation factor 4E 0.0067 0.7142 0.7142
Schistosoma mansoni uracil phosphoribosyltransferase 0.0021 0.166 0.166
Mycobacterium tuberculosis Probable pyrimidine operon regulatory protein PyrR 0.0021 0.166 0.1904
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0091 1 1
Schistosoma mansoni ABC transporter 0.001 0.0332 0.0332
Trichomonas vaginalis taga, putative 0.0013 0.0648 0.0648
Plasmodium falciparum hypoxanthine-guanine phosphoribosyltransferase 0.0091 1 1
Trypanosoma cruzi Adenine phosphoribosyltransferase, putative 0.0021 0.166 0.166
Loa Loa (eye worm) hypothetical protein 0.0013 0.0648 0.0908
Entamoeba histolytica P-glycoprotein-1 0.0013 0.0648 0.082
Plasmodium vivax hypoxanthine-guanine phosphoribosyltransferase, putative 0.0091 1 1
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-3 0.0008 0.0068 0.0068
Echinococcus multilocularis multidrug resistance protein 1 0.0013 0.0648 0.0648
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0013 0.0648 0.0648
Echinococcus multilocularis eukaryotic translation initiation factor 4E 0.0067 0.7142 0.7142
Trypanosoma brucei ABC transporter, putative 0.0012 0.0547 0.0547
Echinococcus multilocularis uridine 5' monophosphate synthase 0.0021 0.166 0.166
Brugia malayi eukaryotic translation initiation factor 4E-1 0.0008 0.0068 0.0068
Mycobacterium ulcerans adenine phosphoribosyltransferase 0.0021 0.166 0.1177
Trypanosoma brucei Eukaryotic translation initiation factor 4E-1 0.0067 0.7142 0.7142
Loa Loa (eye worm) ABC transporter 0.001 0.0332 0.0464
Trichomonas vaginalis ABC transporter, putative 0.0013 0.0648 0.0648
Echinococcus granulosus transient receptor potential cation channel 0.0007 0.00000045804 0.00000045804
Echinococcus granulosus ATP binding cassette sub family G 0.0012 0.0547 0.0547
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0648 0.0648
Loa Loa (eye worm) hypothetical protein 0.0013 0.0648 0.0908
Echinococcus granulosus transient receptor potential cation channel 0.0007 0.00000045804 0.00000045804
Echinococcus multilocularis ATP binding cassette sub family B 0.0013 0.0615 0.0615
Plasmodium vivax orotate phosphoribosyltransferase, putative 0.0021 0.166 0.1603
Leishmania major orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative,OMPDCase-OPRTase, putative 0.0021 0.166 0.166
Trichomonas vaginalis eukaryotic translation initiation factor 4E type, putative 0.0008 0.0068 0.0068
Mycobacterium tuberculosis Conserved protein 0.0021 0.166 0.1904
Brugia malayi olfactory channel protein osm-9 0.0007 0.00000045804 0.00000045804
Trichomonas vaginalis abcb9, putative 0.0013 0.0648 0.0648
Echinococcus multilocularis ATP binding cassette sub family G 0.0012 0.0547 0.0547
Trichomonas vaginalis abcb9, putative 0.0013 0.0648 0.0648
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0013 0.0615 0.0615
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-4 0.0008 0.0068 0.0068
Echinococcus multilocularis transient receptor potential cation channel 0.0007 0.00000045804 0.00000045804
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0068 0.0068
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0648 0.0648
Entamoeba histolytica P-glycoprotein-2 0.0013 0.0648 0.082
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.0067 0.7142 0.7142
Brugia malayi translation initiation factor 4E 0.0067 0.7142 0.7142
Leishmania major ATP-binding cassette protein subfamily G, member 4, putative 0.0012 0.0547 0.0547
Toxoplasma gondii hypothetical protein 0.0008 0.0068 0.0068
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0648 0.0648
Trichomonas vaginalis ABC transporter, putative 0.0013 0.0648 0.0648
Leishmania major hypothetical protein, conserved 0.0008 0.0068 0.0068
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase, putative 0.0091 1 1
Schistosoma mansoni transient receptor potential channel 0.0007 0.00000045804 0.00000045804
Trypanosoma brucei Eukaryotic translation initiation factor 4E-2 0.0008 0.0068 0.0068
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0013 0.0648 0.5
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0091 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0648 0.0648
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0067 0.7142 1
Trichomonas vaginalis eukaryotic translation initiation factor 4E type, putative 0.0008 0.0068 0.0068
Giardia lamblia Guanine phosphoribosyltransferase 0.0091 1 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0648 0.0648
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0648 0.0648
Mycobacterium ulcerans amidophosphoribosyltransferase 0.0021 0.166 0.1177
Trichomonas vaginalis abcb9, putative 0.0013 0.0648 0.0648
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0008 0.0068 0.0068
Brugia malayi ABC transporter family protein 0.001 0.0332 0.0332
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0648 0.0648
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0013 0.0648 0.0648
Echinococcus granulosus multidrug resistance protein 1 0.0009 0.0189 0.0189
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0091 1 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0013 0.0648 0.0648
Trichomonas vaginalis ribose-phosphate pyrophosphokinase, putative 0.0021 0.166 0.166
Trichomonas vaginalis eukaryotic translation initiation factor 4E type, putative 0.0008 0.0068 0.0068
Trypanosoma brucei Eukaryotic translation initiation factor 4E type 5 0.0008 0.0068 0.0068
Treponema pallidum hypothetical protein 0.0021 0.166 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0068 0.0068
Onchocerca volvulus Adenine phosphoribosyltransferase homolog 0.0021 0.166 0.166
Echinococcus multilocularis hypoxanthine guanine phosphoribosyltransferase 0.0091 1 1
Wolbachia endosymbiont of Brugia malayi orotate phosphoribosyltransferase 0.0021 0.166 0.5
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0013 0.0648 0.0648
Trypanosoma cruzi eukaryotic translation initiation factor 4E (eIF4E) interacting protein, putative 0.0008 0.0068 0.0068
Brugia malayi Eukaryotic translation initiation factor 4E type 3, putative 0.0008 0.0068 0.0068
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.0067 0.7142 0.7142
Loa Loa (eye worm) eukaryotic translation initiation factor 4E-1 0.0008 0.0068 0.0096
Mycobacterium leprae Probable hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (IMP pho 0.007 0.7451 1
Echinococcus granulosus multidrug resistance protein 1 0.0013 0.0648 0.0648
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0067 0.7142 0.7142
Onchocerca volvulus 0.0091 1 1
Loa Loa (eye worm) hypothetical protein 0.0007 0.00000045804 0.00000064136
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0013 0.0648 0.0489
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0648 0.0648
Trypanosoma cruzi Eukaryotic translation initiation factor 4E type 5, putative 0.0008 0.0068 0.0068
Mycobacterium tuberculosis Conserved protein 0.0021 0.166 0.1904
Echinococcus granulosus multidrug resistance protein 1 0.0009 0.0189 0.0189
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0013 0.0648 0.0648
Brugia malayi multidrug resistance protein 3 0.0013 0.0648 0.0648
Trypanosoma brucei Eukaryotic translation initiation factor 4E-3 0.0008 0.0068 0.0068
Toxoplasma gondii eukaryotic initiation factor-4E, putative 0.0067 0.7142 0.7142
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0648 0.0648
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0648 0.0648
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0648 0.0648
Echinococcus granulosus ATP binding cassette sub family G 0.0012 0.0547 0.0547
Trypanosoma cruzi orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0021 0.166 0.166
Schistosoma mansoni orotidine 5'-phosphate decarboxylase 0.0021 0.166 0.166
Trypanosoma cruzi Adenine phosphoribosyltransferase, putative 0.0021 0.166 0.166
Echinococcus granulosus uridine 5' monophosphate synthase 0.0021 0.166 0.166
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0648 0.0648
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0648 0.0648
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0013 0.0648 0.0908
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0648 0.0648
Schistosoma mansoni multidrug resistance protein 0.0013 0.0648 0.0648
Schistosoma mansoni eukaryotic translation initiation factor 4e 0.0067 0.7142 0.7142
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0008 0.0068 0.0068
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0013 0.0648 0.0648
Loa Loa (eye worm) hypothetical protein 0.0007 0.00000045804 0.00000064136
Trypanosoma cruzi eukaryotic translation initiation factor 4E (eIF4E) interacting protein, putative 0.0008 0.0068 0.0068
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0067 0.7142 0.7142
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase 0.0091 1 1
Leishmania major xanthine phosphoribosyltransferase 0.0091 1 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0648 0.0648
Leishmania major eukaryotic translation initiation factor eIF-4E, putative 0.0067 0.7142 0.7142
Echinococcus multilocularis hypoxanthine guanine phosphoribosyltransferase 0.0091 1 1
Onchocerca volvulus Putative eukaryotic translation initiation factor 4e 0.0008 0.0068 0.0068
Plasmodium vivax multidrug resistance protein 1, putative 0.0013 0.0648 0.0584
Loa Loa (eye worm) translation initiation factor 4E 0.0067 0.7142 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0068 0.0068
Trypanosoma cruzi Adenine phosphoribosyltransferase, putative 0.0021 0.166 0.166
Onchocerca volvulus 0.0013 0.0648 0.0648
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0648 0.0648
Schistosoma mansoni Adenine phosphoribosyltransferase 0.0021 0.166 0.166
Treponema pallidum phosphoribosylpyrophosphate synthetase 0.0021 0.166 0.5
Plasmodium falciparum ABC transporter G family member 2 0.0012 0.0547 0.0482
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase 0.0091 1 1
Echinococcus multilocularis multidrug resistance protein 1 0.0013 0.0648 0.0648
Entamoeba histolytica P-glycoprotein-2 0.0013 0.0648 0.082
Echinococcus multilocularis adenine phosphoribosyltransferase 0.0021 0.166 0.166
Entamoeba histolytica ABC transporter, putative 0.0012 0.0547 0.0677
Plasmodium vivax ABC transporter G family member 2, putative 0.0012 0.0547 0.0482
Echinococcus multilocularis transient receptor potential cation channel 0.0007 0.00000045804 0.00000045804
Leishmania major eukaryotic translation initiation factor-like protein 0.0067 0.7142 0.7142
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0009 0.0189 0.0189
Toxoplasma gondii hypoxanthine-xanthine-guanine phosphoribosyl transferase HXGPRT 0.0091 1 1
Schistosoma mansoni ATP-binding cassette sub-family g2 (white protein) (abcg2) 0.0012 0.0547 0.0547
Trypanosoma brucei ATP-binding cassette protein, putative 0.0012 0.0547 0.0547
Entamoeba histolytica P-glycoprotein 5, putative 0.0013 0.0648 0.082
Leishmania major ATP-binding cassette protein subfamily G, member 6, putative 0.0012 0.0547 0.0547

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 5.18 Inhibition of ABCG2 in human mitoxantrone-resistant MCF7 cells by Hoechst 33342 assay ChEMBL. 18678495
IC50 (binding) = 5.3 Inhibition of human Pgp in A2780 cells after 30 mins by Hoechst 33342 assay ChEMBL. 18083034
IC50 (binding) = 5.3 Inhibition of P-gp in human adriamycin-resistant A2780 cells by Hoechst 33342 assay ChEMBL. 18678495
IC50 (binding) = 5.35 Inhibition of human Pgp in A2780 cells after 30 mins by calcein AM assay ChEMBL. 18083034
IC50 (binding) = 5.6 uM Inhibition of P-glycoprotein-mediated multidrug resistance in adriamycin-resistant human A2780/ADR cells by calcein AM assay ChEMBL. 19250834
Log IC50 (binding) = 5.3 Inhibition of human Pgp in A2780 cells after 30 mins by Hoechst 33342 assay ChEMBL. 18083034
Log IC50 (binding) = 5.35 Inhibition of human Pgp in A2780 cells after 30 mins by calcein AM assay ChEMBL. 18083034

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

3 literature references were collected for this gene.

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