Detailed information for compound 514864

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 461.51 | Formula: C26H27N3O5
  • H donors: 1 H acceptors: 3 LogP: 4.35 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2CN(CCc3ccc(cc3)NC(=O)c3ccc(cc3)[N+](=O)[O-])CCc2cc1OC
  • InChi: 1S/C26H27N3O5/c1-33-24-15-20-12-14-28(17-21(20)16-25(24)34-2)13-11-18-3-7-22(8-4-18)27-26(30)19-5-9-23(10-6-19)29(31)32/h3-10,15-16H,11-14,17H2,1-2H3,(H,27,30)
  • InChiKey: JMEQSJIJVWFGMT-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 G (WHITE), member 2 (Junior blood group) Starlite/ChEMBL References
Homo sapiens ATP-binding cassette, sub-family B (MDR/TAP), member 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni hypothetical protein Get druggable targets OG5_126574 All targets in OG5_126574
Candida albicans potential ABC family transporter similar to S. cerevisiae YNR070W 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
Schistosoma mansoni multidrug resistance protein 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
Mycobacterium tuberculosis Probable conserved transmembrane ATP-binding protein ABC transporter 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
Candida albicans multidrug resistance ABC transporter similar to S. cerevisiae PDR5 (YOR153W) Get druggable targets OG5_126574 All targets in OG5_126574
Entamoeba histolytica P-glycoprotein-5 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
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 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 ABC transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Plasmodium falciparum ABC transporter G family member 2 Get druggable targets OG5_126574 All targets in OG5_126574
Trypanosoma brucei ABC transporter, 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
Candida albicans similar to S. cerevisiae PDR5 (YOR153W) Get druggable targets OG5_126574 All targets in OG5_126574
Trypanosoma congolense ATP-binding cassette protein, putative 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
Leishmania mexicana 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
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
Loa Loa (eye worm) hypothetical 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
Schistosoma japonicum Bile salt export pump, putative 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
Leishmania donovani p-glycoprotein 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
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 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
Leishmania infantum p-glycoprotein 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
Plasmodium falciparum multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania infantum ATP-binding cassette protein subfamily G, member 4, putative 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
Candida albicans potential ABC family transporter similar to S. cerevisiae YNR070W 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
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
Cryptosporidium hominis ABC transporter 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
Candida albicans identical to C terminus of nonallelic CaP19.919 Get druggable targets OG5_126574 All targets in OG5_126574
Echinococcus multilocularis ATP binding cassette sub family G 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
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
Trichomonas vaginalis multidrug resistance protein 1, 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
Schistosoma japonicum Multidrug resistance protein 3, putative 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
Brugia malayi multidrug resistance protein 3 Get druggable targets OG5_126596 All targets in OG5_126596
Giardia lamblia 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
Plasmodium knowlesi multidrug resistance protein 1, 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 japonicum ATP-binding cassette sub-family B member 5, putative Get druggable targets OG5_126596 All targets in OG5_126596
Candida albicans similar to N terminus of CaP19.6000 multidrug resistance transporter CDR1 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
Brugia malayi ABC transporter family protein 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
Plasmodium knowlesi ABC transporter G family member 2, putative 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
Entamoeba histolytica P-glycoprotein-2, 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
Brugia malayi ABC transporter family protein Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ABC transporter, half transporter, 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
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein Get druggable targets OG5_126574 All targets in OG5_126574
Trypanosoma cruzi ATP-binding cassette protein, putative 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 multidrug resistance protein 1, 2, putative 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 N terminal 2/3 of Opaque-specific ABC transporter 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
Echinococcus granulosus multidrug resistance protein 1 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
Schistosoma japonicum Multidrug resistance protein 1, 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
Entamoeba histolytica P-glycoprotein 5, 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
Neospora caninum hypothetical protein 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania donovani ATP-binding cassette protein subfamily B, member 2, putative 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
Echinococcus granulosus 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
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
Toxoplasma gondii ATP-binding cassette G family transporter ABCG84 Get druggable targets OG5_126574 All targets in OG5_126574
Loa Loa (eye worm) hypothetical protein 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
Plasmodium vivax ABC transporter G family member 2, putative Get druggable targets OG5_126574 All targets in OG5_126574
Entamoeba histolytica P-glyco protein 6, putative 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
Plasmodium yoelii multidrug resistance protein 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
Trichomonas vaginalis abcb9, 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:K05659 ATP-binding cassette, subfamily B (MDR/TAP), member 4, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis abcb9, putative 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 identical to C terminus of nonallelic CaP19.919 Get druggable targets OG5_126574 All targets in OG5_126574
Trypanosoma brucei 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
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
Trypanosoma brucei gambiense ABC transporter, putative 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
Leishmania major ATP-binding cassette protein subfamily G, member 4, 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
Leishmania major ATP-binding cassette protein subfamily G, member 6, 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
Chlamydia trachomatis ABC transporter ATP binding protein/permease 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
Leishmania major ATP-binding cassette protein subfamily B, member 2, 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
Leishmania donovani ATP-binding cassette protein subfamily G, member 4, putative Get druggable targets OG5_126574 All targets in OG5_126574
Entamoeba histolytica ABC transporter, putative Get druggable targets OG5_126574 All targets in OG5_126574
Plasmodium vivax multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis taga, putative 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
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, 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
Leishmania infantum ATP-binding cassette protein subfamily B, member 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
Echinococcus multilocularis multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Loa Loa (eye worm) ABC transporter 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
Loa Loa (eye worm) multidrug resistance protein 3 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
Schistosoma japonicum ko:K05681 ATP-binding cassette, subfamily G (WHITE), 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
Candida albicans N terminal 2/3 of Opaque-specific ABC transporter Get druggable targets OG5_126574 All targets in OG5_126574
Schistosoma mansoni 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 multidrug resistance protein 1 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
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 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
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
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 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
Leishmania major p-glycoprotein 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
Schistosoma japonicum Multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania braziliensis ABC transporter, putative Get druggable targets OG5_126574 All targets in OG5_126574
Cryptosporidium parvum ATP-binding cassette transporter Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis abcb9, 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
Trypanosoma brucei gambiense ATP-binding cassette protein, 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
Trichomonas vaginalis ABC transporter, half 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
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Onchocerca volvulus 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
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
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
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 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
Schistosoma mansoni ABC transporter 0.001 0.0011 0.0011
Echinococcus multilocularis ATP binding cassette sub family B 0.0013 0.0102 0.0022
Schistosoma mansoni L-lactate dehydrogenase 0.027 1 1
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0013 0.0113 0.0033
Loa Loa (eye worm) hypothetical protein 0.0013 0.0102 0.0091
Echinococcus granulosus malate dehydrogenase 0.0105 0.3654 0.3603
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0013 0.0113 0.0033
Entamoeba histolytica malate dehydrogenase, putative 0.027 1 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0113 0.0033
Plasmodium falciparum L-lactate dehydrogenase 0.027 1 1
Leishmania major malate dehydrogenase, putative 0.0105 0.3654 0.3603
Schistosoma mansoni smdr2 0.0013 0.0113 0.0113
Echinococcus multilocularis malate dehydrogenase 0.0105 0.3654 0.3603
Loa Loa (eye worm) malate dehydrogenase 0.0105 0.3654 0.3647
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0113 0.0033
Echinococcus granulosus lactate dehydrogenase a 0.027 1 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0013 0.0113 0.0033
Echinococcus granulosus lactate dehydrogenase protein 0.027 1 1
Wolbachia endosymbiont of Brugia malayi malate dehydrogenase 0.027 1 0.5
Echinococcus multilocularis multidrug resistance protein 1 0.0013 0.0113 0.0033
Trichomonas vaginalis malate dehydrogenase, putative 0.0105 0.3654 1
Echinococcus granulosus multidrug resistance protein 1 0.0013 0.0113 0.0033
Echinococcus multilocularis multidrug resistance protein 1 0.0013 0.0113 0.0033
Mycobacterium leprae PROBABLE MALATE DEHYDROGENASE MDH 0.0105 0.3654 0.5
Schistosoma mansoni L-lactate dehydrogenase 0.0105 0.3654 0.3654
Onchocerca volvulus 0.0013 0.0113 0.5
Echinococcus granulosus multidrug resistance protein 1 0.0013 0.0113 0.0033
Plasmodium vivax lactate dehydrogenase 0.027 1 1
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0013 0.0102 0.0022
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0105 0.3654 0.3603
Brugia malayi ABC transporter family protein 0.0013 0.0113 0.0102
Plasmodium falciparum malate dehydrogenase 0.027 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0105 0.3654 1
Echinococcus granulosus cytosolic malate dehydrogenase 0.0105 0.3654 0.3603
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0105 0.3654 1
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0105 0.3654 1
Schistosoma mansoni multidrug resistance protein 0.0013 0.0113 0.0113
Echinococcus multilocularis lactate dehydrogenase a 0.027 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0051 0.1584 0.4156
Mycobacterium tuberculosis Probable malate dehydrogenase Mdh 0.0105 0.3654 1
Trypanosoma brucei mitochondrial malate dehydrogenase 0.0105 0.3654 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0105 0.3654 1
Entamoeba histolytica P-glycoprotein-5 0.0013 0.0113 0.0033
Echinococcus multilocularis lactate dehydrogenase a 0.027 1 1
Leishmania major mitochondrial malate dehydrogenase 0.0105 0.3654 0.3603
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0013 0.0113 0.0033
Entamoeba histolytica P-glycoprotein-2, putative 0.0013 0.0113 0.0033
Trichomonas vaginalis malate dehydrogenase, putative 0.0105 0.3654 1
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0105 0.3654 1
Schistosoma mansoni malate dehydrogenase 0.0105 0.3654 0.3654
Echinococcus granulosus L lactate dehydrogenase B chain 0.027 1 1
Schistosoma mansoni multidrug resistance protein 0.0013 0.0113 0.0113
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0113 0.0033
Entamoeba histolytica malate dehydrogenase,cytoplasmic, putative 0.0105 0.3654 0.3603
Schistosoma mansoni multidrug resistance protein 0.0013 0.0113 0.0113
Trichomonas vaginalis malate dehydrogenase, putative 0.0105 0.3654 1
Echinococcus multilocularis L lactate dehydrogenase B chain 0.027 1 1
Toxoplasma gondii lactate dehydrogenase LDH2 0.027 1 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0113 0.0033
Echinococcus multilocularis malate dehydrogenase 0.0105 0.3654 0.3603
Loa Loa (eye worm) hypothetical protein 0.0013 0.0113 0.0102
Schistosoma mansoni malate dehydrogenase 0.0105 0.3654 0.3654
Mycobacterium ulcerans malate dehydrogenase 0.0105 0.3654 1
Echinococcus granulosus multidrug resistance protein 1 0.0013 0.0113 0.0033
Trypanosoma brucei malate dehydrogenase-related 0.0105 0.3654 1
Trypanosoma brucei cytosolic malate dehydrogenase 0.0105 0.3654 1
Entamoeba histolytica malate dehydrogenase, putative 0.0105 0.3654 0.3603
Echinococcus granulosus cytosolic malate dehydrogenase 0.0105 0.3654 0.3603
Echinococcus multilocularis L lactate dehydrogenase 0.0165 0.5964 0.5932
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0013 0.0113 0.0033
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0013 0.0113 0.0033
Leishmania major malate dehydrogenase 0.0105 0.3654 0.3603
Plasmodium falciparum lactate dehydrogenase, putative 0.0105 0.3654 0.3603
Echinococcus multilocularis lactate dehydrogenase protein 0.027 1 1
Toxoplasma gondii malate dehydrogenase MDH 0.027 1 1
Trypanosoma cruzi malate dehydrogenase, putative 0.0105 0.3654 1
Trypanosoma brucei glycosomal malate dehydrogenase 0.0105 0.3654 1
Schistosoma mansoni malate dehydrogenase 0.027 1 1
Plasmodium vivax malate dehydrogenase, putative 0.027 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0105 0.3654 1
Trypanosoma cruzi malate dehydrogenase, putative 0.0105 0.3654 1
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0105 0.3654 1
Chlamydia trachomatis malate dehydrogenase 0.0105 0.3654 1
Echinococcus granulosus lactate dehydrogenase a 0.027 1 1
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0105 0.3654 1
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0013 0.0113 0.0102
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0013 0.0113 0.0308
Loa Loa (eye worm) malate dehydrogenase 0.0105 0.3654 0.3647
Toxoplasma gondii lactate dehydrogenase LDH1 0.027 1 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0013 0.0113 0.0033
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0105 0.3654 1
Trypanosoma cruzi mitochondrial malate dehydrogenase, putative 0.0105 0.3654 1
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0105 0.3654 1
Schistosoma mansoni ATP-binding cassette sub-family g2 (white protein) (abcg2) 0.0012 0.008 0.008
Brugia malayi Probable malate dehydrogenase, mitochondrial precursor 0.0105 0.3654 0.3647
Leishmania major cytosolic malate dehydrogenase 0.0105 0.3654 0.3603
Loa Loa (eye worm) multidrug resistance protein 3 0.0013 0.0113 0.0102
Echinococcus multilocularis lactate dehydrogenase a 0.027 1 1
Echinococcus granulosus L lactate dehydrogenase 0.0165 0.5964 0.5932
Trichomonas vaginalis malate dehydrogenase, putative 0.0105 0.3654 1
Plasmodium falciparum multidrug resistance protein 1 0.0013 0.0113 0.0033
Trichomonas vaginalis malate dehydrogenase, putative 0.0105 0.3654 1
Plasmodium vivax multidrug resistance protein 1, putative 0.0013 0.0113 0.0033
Trichomonas vaginalis malate dehydrogenase, putative 0.0105 0.3654 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0113 0.0102
Brugia malayi multidrug resistance protein 3 0.0013 0.0113 0.0102
Plasmodium vivax lactate/malate dehydrogenase, putative 0.0105 0.3654 0.3603
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0105 0.3654 0.3603
Trichomonas vaginalis malate dehydrogenase, putative 0.0105 0.3654 1
Entamoeba histolytica P-glyco protein 6, putative 0.0013 0.0113 0.0033
Trichomonas vaginalis malate dehydrogenase, putative 0.0051 0.1584 0.4156
Loa Loa (eye worm) hypothetical protein 0.027 1 1
Leishmania major p-glycoprotein 0.0013 0.0113 0.0033
Entamoeba histolytica P-glycoprotein-2 0.0013 0.0113 0.0033
Entamoeba histolytica P-glycoprotein-1 0.0013 0.0113 0.0033
Entamoeba histolytica P-glycoprotein 5, putative 0.0013 0.0113 0.0033
Trichomonas vaginalis malate dehydrogenase, putative 0.0105 0.3654 1
Echinococcus granulosus malate dehydrogenase 0.0105 0.3654 0.3603
Brugia malayi Malate dehydrogenase, cytoplasmic 0.0105 0.3654 0.3647
Giardia lamblia Malate dehydrogenase 0.0105 0.3654 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0113 0.0033
Leishmania major malate dehydrogenase, putative 0.027 1 1
Entamoeba histolytica P-glycoprotein-2 0.0013 0.0113 0.0033
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0105 0.3654 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0105 0.3654 1
Leishmania major glycosomal malate dehydrogenase 0.0105 0.3654 0.3603
Schistosoma mansoni malate dehydrogenase 0.0105 0.3654 0.3654

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 5.12 Inhibition of ABCG2 in human mitoxantrone-resistant MCF7 cells by Hoechst 33342 assay ChEMBL. 18678495
IC50 (binding) = 5.86 Inhibition of human Pgp in A2780 cells after 30 mins by Hoechst 33342 assay ChEMBL. 18083034
IC50 (binding) = 5.86 Inhibition of P-gp in human adriamycin-resistant A2780 cells by Hoechst 33342 assay ChEMBL. 18678495
IC50 (binding) = 5.96 Inhibition of human Pgp in A2780 cells after 30 mins by calcein AM assay ChEMBL. 18083034
IC50 (binding) = 1.4 uM Inhibition of P-glycoprotein-mediated multidrug resistance in adriamycin-resistant human A2780/ADR cells by calcein AM assay ChEMBL. 19250834
IC50 (binding) = 4.38 uM Inhibition of BCRP expressed in MDCK cells by pheophorbide A assay ChEMBL. 19932960
IC50 (binding) = 6.92 uM Inhibition of BCRP expressed in MCF7 MX cells by Hoechst 33342 staining ChEMBL. 19932960
Log IC50 (binding) = 5.86 Inhibition of human Pgp in A2780 cells after 30 mins by Hoechst 33342 assay ChEMBL. 18083034
Log IC50 (binding) = 5.96 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.
 
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External resources for this compound

Bibliographic References

4 literature references were collected for this gene.

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