Detailed information for compound 415214

Basic information

Technical information
  • TDR Targets ID: 415214
  • Name: 2-butylsulfanyl-3-prop-2-enylspiro[6H-benzo[h ]quinazoline-5,1'-cyclopentane]-4-one
  • MW: 380.546 | Formula: C23H28N2OS
  • H donors: 0 H acceptors: 1 LogP: 5.98 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCn1c(SCCCC)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1
  • InChi: 1S/C23H28N2OS/c1-3-5-15-27-22-24-20-18-11-7-6-10-17(18)16-23(12-8-9-13-23)19(20)21(26)25(22)14-4-2/h4,6-7,10-11H,2-3,5,8-9,12-16H2,1H3
  • InChiKey: BTGDGDJMJBASNW-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

  • 3-allyl-2-butylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
  • 3-allyl-2-(butylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one
  • 2-butylsulfanyl-3-prop-2-enyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
  • 3-allyl-2-(butylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
  • ZINC01814176
  • STOCK1S-26405
  • BAS 00818542

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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Schistosoma mansoni multidrug resistance protein Get druggable targets OG5_126596 All targets in OG5_126596
Onchocerca volvulus 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
Plasmodium yoelii multidrug resistance 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
Schistosoma japonicum Multidrug resistance protein 1, putative 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
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
Schistosoma mansoni smdr2 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
Entamoeba histolytica P-glycoprotein-2, putative 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
Echinococcus multilocularis multidrug resistance protein 1 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
Trichomonas vaginalis abcb9, 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
Trichomonas vaginalis multidrug resistance protein 1, 2, 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
Trichomonas vaginalis multidrug resistance protein 1, 2, 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
Trichomonas vaginalis abcb9, putative 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
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 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
Plasmodium knowlesi multidrug resistance protein 1, 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
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 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
Schistosoma japonicum ko:K05659 ATP-binding cassette, subfamily B (MDR/TAP), member 4, 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
Echinococcus granulosus multidrug resistance protein 1 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
Plasmodium falciparum multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania infantum p-glycoprotein 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 B 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
Trichomonas vaginalis taga, putative 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
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
Entamoeba histolytica P-glycoprotein-2 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
Leishmania donovani p-glycoprotein Get druggable targets OG5_126596 All targets in OG5_126596
Brugia malayi ABC transporter family protein 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 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
Echinococcus multilocularis multidrug resistance protein 1 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 mexicana p-glycoprotein 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
Echinococcus granulosus multidrug resistance protein 1 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
Schistosoma japonicum Multidrug resistance protein 1, 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
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 berghei multidrug resistance protein 1, 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
Trichomonas vaginalis ABC 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 japonicum Multidrug resistance protein 1, 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
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
Cryptosporidium hominis ATP-binding cassette protein 3 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
Leishmania major p-glycoprotein 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
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 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
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP Get druggable targets OG5_126596 All targets in OG5_126596
Entamoeba histolytica P-glycoprotein-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
Trichomonas vaginalis multidrug resistance protein 1, 2, 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
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 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
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
Schistosoma japonicum Bile salt export pump, 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
Toxoplasma gondii ABC transporter transmembrane region domain-containing 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
Trichomonas vaginalis ABC transporter, half transporter, putative 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
Echinococcus multilocularis multidrug resistance protein 1 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
Echinococcus granulosus 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
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
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
Chlamydia trachomatis ABC transporter ATP binding protein/permease Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 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
Trichomonas vaginalis ATP-binding cassette transporter, 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
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0013 0.0012 0.0012
Loa Loa (eye worm) multidrug resistance protein 3 0.0013 0.0012 0.0012
Giardia lamblia Macrophage migration inhibitory factor 0.37 1 1
Leishmania major macrophage migration inhibitory factor-like protein 0.37 1 1
Entamoeba histolytica phosphofructokinase, putative 0.0106 0.0265 0.0254
Echinococcus multilocularis flap endonuclease 1 0.0025 0.0046 0.1702
Schistosoma mansoni 6-phosphofructokinase 0.0106 0.0265 1
Entamoeba histolytica Flap nuclease, putative 0.0025 0.0046 0.0035
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0029 0.0055 0.0043
Toxoplasma gondii phosphofructokinase PFKII 0.0029 0.0055 0.0043
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0012 0.0395
Echinococcus multilocularis 6 phosphofructokinase 0.0106 0.0265 1
Leishmania major C-8 sterol isomerase-like protein 0.0418 0.111 0.1099
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0013 0.0012 0.0395
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0029 0.0055 0.0043
Echinococcus granulosus multidrug resistance protein 1 0.0013 0.0012 0.0395
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.37 1 1
Trichomonas vaginalis conserved hypothetical protein 0.37 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0012 0.0012
Trichomonas vaginalis phosphofructokinase, putative 0.0106 0.0265 0.0265
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0012 0.0012
Trichomonas vaginalis abcb9, putative 0.0013 0.0012 0.0012
Trichomonas vaginalis ABC transporter, putative 0.0013 0.0012 0.0012
Plasmodium vivax 6-phosphofructokinase, putative 0.0029 0.0055 0.0043
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0012 0.0012
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0055 0.0055
Loa Loa (eye worm) hypothetical protein 0.031 0.0818 0.0818
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.37 1 1
Brugia malayi phosphofructokinase 0.0106 0.0265 0.0265
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0012 0.0012
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0012 0.0012
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0013 0.0012 0.0395
Loa Loa (eye worm) hypothetical protein 0.0418 0.111 0.111
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0029 0.0055 0.0043
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.1578 0.4253 0.4253
Trichomonas vaginalis flap endonuclease-1, putative 0.0025 0.0046 0.0046
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0055 0.0055
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0012 0.0012
Plasmodium vivax macrophage migration inhibitory factor, putative 0.37 1 1
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0418 0.111 0.111
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0012 0.0012
Trichomonas vaginalis ABC transporter, putative 0.0013 0.0012 0.0012
Onchocerca volvulus 0.0013 0.0012 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0012 0.0395
Trypanosoma brucei C-8 sterol isomerase, putative 0.0418 0.111 1
Schistosoma mansoni 6-phosphofructokinase 0.0106 0.0265 1
Trichomonas vaginalis abcb9, putative 0.0013 0.0012 0.0012
Giardia lamblia Flap structure-specific endonuclease 0.0025 0.0046 0.0046
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0106 0.0265 0.206
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0012 0.0395
Brugia malayi Flap endonuclease-1 0.0025 0.0046 0.0046
Brugia malayi ABC transporter family protein 0.0013 0.0012 0.0012
Loa Loa (eye worm) hypothetical protein 0.0214 0.0556 0.0556
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0029 0.0055 0.0055
Loa Loa (eye worm) phosphofructokinase 0.0106 0.0265 0.0265
Echinococcus multilocularis multidrug resistance protein 1 0.0013 0.0012 0.0395
Echinococcus multilocularis multidrug resistance protein 1 0.0013 0.0012 0.0395
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0012 0.0012
Brugia malayi hypothetical protein 0.0119 0.03 0.03
Trichomonas vaginalis ABC transporter, putative 0.0013 0.0012 0.0012
Echinococcus granulosus multidrug resistance protein 1 0.0013 0.0012 0.0395
Echinococcus granulosus 6 phosphofructokinase 0.0106 0.0265 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0013 0.0012 0.0395
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0055 0.0055
Trichomonas vaginalis phosphofructokinase, putative 0.0106 0.0265 0.0265
Loa Loa (eye worm) hypothetical protein 0.0013 0.0012 0.0012
Echinococcus multilocularis ATP binding cassette sub family B 0.0013 0.0011 0.038
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0009 0.0001 0.0001
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0012 0.0012
Brugia malayi multidrug resistance protein 3 0.0013 0.0012 0.0012
Brugia malayi 6-phosphofructokinase 0.0106 0.0265 0.0265
Loa Loa (eye worm) macrophage migration inhibitory factor 0.37 1 1
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0029 0.0055 0.0055
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0012 0.0395
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0012 0.0012
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0012 0.0012
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0106 0.0265 0.206
Mycobacterium ulcerans 6-phosphofructokinase 0.0106 0.0265 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0012 0.0012
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0013 0.0011 0.038
Entamoeba histolytica phosphofructokinase, putative 0.0106 0.0265 0.0254
Leishmania major ATP-dependent phosphofructokinase 0.0106 0.0265 0.0254
Toxoplasma gondii 6-phosphofructokinase 0.0029 0.0055 0.0043
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0013 0.0012 0.0012
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.1578 0.4253 0.4253
Entamoeba histolytica phosphofructokinase, putative 0.0106 0.0265 0.0254
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0012 0.0012
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0106 0.0265 1
Plasmodium falciparum flap endonuclease 1 0.0025 0.0046 0.0035
Plasmodium vivax flap endonuclease 1, putative 0.0025 0.0046 0.0035
Loa Loa (eye worm) 6-phosphofructokinase 0.0106 0.0265 0.0265
Loa Loa (eye worm) hypothetical protein 0.0013 0.0011 0.0011
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0013 0.0012 0.0443
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0029 0.0055 1
Trichomonas vaginalis taga, putative 0.0013 0.0012 0.0012
Plasmodium vivax 6-phosphofructokinase, putative 0.0029 0.0055 0.0043
Brugia malayi 6-phosphofructokinase 0.0106 0.0266 0.0266
Echinococcus granulosus multidrug resistance protein 1 0.0013 0.0012 0.0395
Trichomonas vaginalis phosphofructokinase, putative 0.0106 0.0265 0.0265
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0055 0.0055
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0012 0.0012
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0055 0.0055
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0012 0.0012
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0012 0.0012
Loa Loa (eye worm) flap endonuclease-1 0.0025 0.0046 0.0046
Trichomonas vaginalis phosphofructokinase, putative 0.0106 0.0265 0.0265
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0012 0.0012
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0106 0.0265 0.5
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0013 0.0012 0.0012
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0418 0.111 1
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0106 0.0265 1
Leishmania major macrophage migration inhibitory factor-like protein 0.37 1 1
Trichomonas vaginalis abcb9, putative 0.0013 0.0012 0.0012
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0013 0.0012 0.0395
Echinococcus granulosus flap endonuclease 1 0.0025 0.0046 0.1702
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0029 0.0055 1
Loa Loa (eye worm) 6-phosphofructokinase 0.0106 0.0265 0.0265
Schistosoma mansoni flap endonuclease-1 0.0023 0.004 0.11
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0029 0.0055 0.0043
Trichomonas vaginalis ABC transporter, putative 0.0013 0.0012 0.0012
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0025 0.0046 0.0035
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0012 0.0012
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0055 0.0055
Plasmodium falciparum macrophage migration inhibitory factor 0.37 1 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0012 0.0012
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.37 1 1
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0025 0.0046 0.0035
Loa Loa (eye worm) hypothetical protein 0.0013 0.0012 0.0012
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0012 0.0012
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0012 0.0395

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 5.46 SUPPLEMENTARY: Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay. Same assay as CHEMBL914418 ChEMBL. No reference
EC50 (binding) = 3.5 umol/L Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay ChEMBL. 17352460
EC50 (binding) = 3.5 umol/L Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay ChEMBL. 17352460

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.