Detailed information for compound 252098

Basic information

Technical information
  • TDR Targets ID: 252098
  • Name: [2-[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin- 1-yl)propoxy]phenyl]-phenylmethanone
  • MW: 431.523 | Formula: C27H29NO4
  • H donors: 2 H acceptors: 3 LogP: 3.81 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(CN1CCC(CC1)(O)c1ccccc1)COc1ccccc1C(=O)c1ccccc1
  • InChi: 1S/C27H29NO4/c29-23(19-28-17-15-27(31,16-18-28)22-11-5-2-6-12-22)20-32-25-14-8-7-13-24(25)26(30)21-9-3-1-4-10-21/h1-14,23,29,31H,15-20H2
  • InChiKey: KNWQIFLHCZAXAN-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

  • [2-[2-hydroxy-3-(4-hydroxy-4-phenyl-1-piperidyl)propoxy]phenyl]-phenyl-methanone
  • [2-[2-hydroxy-3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy]phenyl]-phenylmethanone
  • [2-[2-hydroxy-3-(4-hydroxy-4-phenyl-piperidin-1-yl)propoxy]phenyl]-phenyl-methanone
  • [2-[2-hydroxy-3-(4-hydroxy-4-phenyl-piperidino)propoxy]phenyl]-phenyl-methanone

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
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
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
Echinococcus multilocularis ATP binding cassette sub family B 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 granulosus multidrug resistance protein 1 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
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, 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
Onchocerca volvulus 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 major 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
Trichomonas vaginalis ABC transporter, 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
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
Plasmodium falciparum multidrug resistance protein 1 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
Chlamydia trachomatis ABC transporter ATP binding protein/permease Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania donovani p-glycoprotein 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-glyco protein 6, putative 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
Loa Loa (eye worm) hypothetical protein 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 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
Trichomonas vaginalis ABC 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
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
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 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
Leishmania infantum ATP-binding cassette protein subfamily B, member 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
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
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
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 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
Leishmania infantum p-glycoprotein 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 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
Leishmania major 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
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 abcb9, 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
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
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 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
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 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
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 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
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 multidrug resistance protein 1, 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
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 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 3, 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 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 ABC transporter, half transporter, putative 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
Schistosoma mansoni smdr2 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
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
Entamoeba histolytica P-glycoprotein 5, 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
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 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
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 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
Neospora caninum ATP-binding cassette, sub-family B (MDR/TAP), member 4, related 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
Trichomonas vaginalis abcb9, putative 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
Cryptosporidium hominis ATP-binding cassette protein 3 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
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, 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
Schistosoma japonicum Multidrug resistance protein 3, 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
Schistosoma japonicum ATP-binding cassette sub-family B member 5, 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
Trichomonas vaginalis ATP-binding cassette transporter, 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 granulosus ATP binding cassette subfamily B MDR:TAP 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
Echinococcus granulosus serotonin transporter 0.2946 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0028 1
Brugia malayi hypothetical protein 0.05 0.1684 0.1684
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.05 0.1684 0.1684
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0028 1
Loa Loa (eye worm) hypothetical protein 0.05 0.1684 0.1684
Entamoeba histolytica P-glycoprotein-1 0.0013 0.0028 0.5
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0028 0.0028
Entamoeba histolytica P-glycoprotein 5, putative 0.0013 0.0028 0.5
Loa Loa (eye worm) hypothetical protein 0.05 0.1684 0.1684
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.05 0.1684 0.1684
Entamoeba histolytica P-glyco protein 6, putative 0.0013 0.0028 0.5
Toxoplasma gondii hypothetical protein 0.05 0.1684 1
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.05 0.1684 0.1684
Loa Loa (eye worm) hypothetical protein 0.05 0.1684 0.1684
Loa Loa (eye worm) hypothetical protein 0.05 0.1684 0.1684
Loa Loa (eye worm) hypothetical protein 0.2946 1 1
Schistosoma mansoni multidrug resistance protein 0.0013 0.0028 0.0028
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.05 0.1684 0.1684
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.05 0.1684 1
Echinococcus multilocularis multidrug resistance protein 1 0.0013 0.0028 0.0028
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0028 1
Leishmania major p-glycoprotein 0.0013 0.0028 0.5
Trichomonas vaginalis ABC transporter, putative 0.0013 0.0028 1
Echinococcus multilocularis ATP binding cassette sub family B 0.0013 0.0027 0.0027
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.05 0.1684 0.1684
Toxoplasma gondii hypothetical protein 0.05 0.1684 1
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0013 0.0028 1
Echinococcus granulosus multidrug resistance protein 1 0.0009 0.0015 0.0015
Plasmodium vivax amine transporter, putative 0.05 0.1684 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0028 1
Schistosoma mansoni multidrug resistance protein 0.0013 0.0028 0.0028
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.05 0.1684 0.1684
Trichomonas vaginalis abcb9, putative 0.0013 0.0028 1
Schistosoma mansoni sodium-dependent amino acid transporter 0.05 0.1684 0.1684
Loa Loa (eye worm) norepinephrine transporter 0.2946 1 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.05 0.1684 0.1684
Echinococcus multilocularis multidrug resistance protein 1 0.0009 0.0015 0.0015
Trichomonas vaginalis taga, putative 0.0013 0.0028 1
Trichomonas vaginalis abcb9, putative 0.0013 0.0028 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0028 0.0028
Schistosoma mansoni smdr2 0.0013 0.0028 0.0028
Plasmodium falciparum transporter, putative 0.05 0.1684 1
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.05 0.1684 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0028 1
Loa Loa (eye worm) hypothetical protein 0.2946 1 1
Loa Loa (eye worm) multidrug resistance protein 3 0.0013 0.0028 0.0028
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0028 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0028 1
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.05 0.1684 0.1684
Trichomonas vaginalis ABC transporter, putative 0.0013 0.0028 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.05 0.1684 0.1684
Schistosoma mansoni sodium/chloride dependent transporter 0.05 0.1684 0.1684
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.05 0.1684 0.1684
Trichomonas vaginalis ABC transporter, putative 0.0013 0.0028 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0028 1
Plasmodium falciparum amino acid transporter, putative 0.05 0.1684 1
Trichomonas vaginalis abcb9, putative 0.0013 0.0028 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0027 0.0027
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0028 1
Onchocerca volvulus 0.05 0.1684 0.1684
Entamoeba histolytica P-glycoprotein-2, putative 0.0013 0.0028 0.5
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0028 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0013 0.0028 0.0028
Echinococcus granulosus sodium and chloride dependent glycine 0.05 0.1684 0.1684
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0028 1
Loa Loa (eye worm) hypothetical protein 0.05 0.1684 0.1684
Loa Loa (eye worm) hypothetical protein 0.0013 0.0028 0.0028
Echinococcus granulosus multidrug resistance protein 1 0.0013 0.0028 0.0028
Brugia malayi Sodium:neurotransmitter symporter family protein 0.05 0.1684 0.1684
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.05 0.1684 0.1684
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0028 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.05 0.1684 0.1684
Onchocerca volvulus 0.2946 1 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0013 0.0028 0.0028
Loa Loa (eye worm) hypothetical protein 0.05 0.1684 0.1684
Echinococcus multilocularis sodium and chloride dependent glycine 0.05 0.1684 0.1684
Loa Loa (eye worm) hypothetical protein 0.0013 0.0028 0.0028
Echinococcus granulosus uncharacterized sodium dependent transporter 0.05 0.1684 0.1684
Schistosoma mansoni sodium/chloride dependent transporter 0.2946 1 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0013 0.0028 0.0028
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0028 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0013 0.0028 0.0028
Plasmodium vivax hypothetical protein, conserved 0.05 0.1684 1
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.05 0.1684 0.1684
Echinococcus granulosus multidrug resistance protein 1 0.0013 0.0028 0.0028
Brugia malayi ABC transporter family protein 0.0013 0.0028 0.0028
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.05 0.1684 0.1684
Echinococcus granulosus multidrug resistance protein 1 0.0013 0.0028 0.0028
Loa Loa (eye worm) hypothetical protein 0.05 0.1684 0.1684
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0028 1
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0013 0.0028 1
Echinococcus granulosus uncharacterized sodium dependent transporter 0.05 0.1684 0.1684
Entamoeba histolytica P-glycoprotein-2 0.0013 0.0028 0.5
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0013 0.0028 0.5
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.2946 1 1
Treponema pallidum sodium- and chloride- dependent transporter 0.2946 1 0.5
Schistosoma mansoni multidrug resistance protein 0.0013 0.0028 0.0028
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0013 0.0027 0.0027
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.05 0.1684 1
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.05 0.1684 0.1684
Brugia malayi Sodium:neurotransmitter symporter family protein 0.05 0.1684 0.1684
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0028 1
Trichomonas vaginalis ABC transporter, putative 0.0013 0.0028 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0028 1
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0013 0.0028 0.0028
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0028 1
Entamoeba histolytica P-glycoprotein-5 0.0013 0.0028 0.5
Schistosoma mansoni sodium/chloride dependent transporter 0.05 0.1684 0.1684
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0028 1
Onchocerca volvulus 0.05 0.1684 0.1684
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0013 0.0028 0.5
Echinococcus multilocularis multidrug resistance protein 1 0.0013 0.0028 0.0028
Echinococcus granulosus multidrug resistance protein 1 0.0009 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.2946 1 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0028 0.0028
Brugia malayi multidrug resistance protein 3 0.0013 0.0028 0.0028
Brugia malayi Sodium:neurotransmitter symporter family protein 0.05 0.1684 0.1684
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0028 0.0028
Onchocerca volvulus 0.05 0.1684 0.1684
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0028 0.0028
Echinococcus multilocularis serotonin transporter 0.2946 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0028 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.05 0.1684 0.1684
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0028 1
Echinococcus granulosus sodium and chloride dependent glycine 0.05 0.1684 0.1684
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.05 0.1684 1
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.05 0.1684 0.1684
Loa Loa (eye worm) solute carrier family 6 member 4 0.2946 1 1
Loa Loa (eye worm) serotonin transporter b 0.2946 1 1
Onchocerca volvulus 0.0013 0.0028 0.0028
Entamoeba histolytica P-glycoprotein-2 0.0013 0.0028 0.5

Activities

Activity type Activity value Assay description Source Reference
clogP = 3.62 Calculated partition coefficient (clogP) (Molgen) ChEMBL. 14584949
clogP = 5.2 Calculated partition coefficient (clogP) (HINT) ChEMBL. 14584949
EC50 (binding) = 0.307 uM Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay ChEMBL. 17352460
EC50 (binding) = 0.307 uM Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay ChEMBL. 17352460
IC50 (functional) = 0.19 uM In vitro multi drug resistance (MDR) reversal inhibitory activity against CCRF-CEM/VCR-1000 cell line ChEMBL. 14584949
IC50 (functional) = 0.19 uM In vitro multi drug resistance (MDR) reversal inhibitory activity against CCRF-CEM/VCR-1000 cell line ChEMBL. 14584949
IC50 (binding) = 0.31 uM Inhibition of P-glycoprotein-mediated daunorubicin efflux from human CCRF-CEM/VCR1000 cells after 240 secs by FACS flow cytometric analysis ChEMBL. 22452412

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 14584949

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.

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