Detailed information for compound 155895

Basic information

Technical information
  • TDR Targets ID: 155895
  • Name: 1-[2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-2- hydroxypropoxy]phenyl]-3-phenylpropan-1-one
  • MW: 462.556 | Formula: C28H31FN2O3
  • H donors: 1 H acceptors: 2 LogP: 4.58 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(CN1CCN(CC1)c1ccc(cc1)F)COc1ccccc1C(=O)CCc1ccccc1
  • InChi: 1S/C28H31FN2O3/c29-23-11-13-24(14-12-23)31-18-16-30(17-19-31)20-25(32)21-34-28-9-5-4-8-26(28)27(33)15-10-22-6-2-1-3-7-22/h1-9,11-14,25,32H,10,15-21H2
  • InChiKey: UQOKEVFVYZVXCW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxy-propoxy]phenyl]-3-phenyl-propan-1-one
  • 1-[2-[3-[4-(4-fluorophenyl)-1-piperazinyl]-2-hydroxypropoxy]phenyl]-3-phenyl-1-propanone
  • 1-[2-[3-[4-(4-fluorophenyl)piperazino]-2-hydroxy-propoxy]phenyl]-3-phenyl-propan-1-one
  • 1-[2-[3-[4-(4-fluorophenyl)-1-piperazinyl]-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one

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 multidrug resistance protein 1, 2, 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
Schistosoma japonicum Multidrug resistance protein 1, 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
Plasmodium yoelii multidrug resistance 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
Entamoeba histolytica P-glyco protein 6, 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 ATP-binding cassette transporter, 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
Echinococcus granulosus multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Onchocerca volvulus 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
Leishmania infantum p-glycoprotein 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 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
Trichomonas vaginalis multidrug resistance protein 1, 2, 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
Leishmania infantum ATP-binding cassette protein subfamily B, member 2, 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
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
Trichomonas vaginalis ABC transporter, 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
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 lipid A export ATP-binding/permease protein msba, 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
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 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
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, 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
Echinococcus multilocularis 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 ABC transporter, half 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
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
Entamoeba histolytica P-glycoprotein-5 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
Plasmodium falciparum 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
Trichomonas vaginalis ABC 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
Trichomonas vaginalis abcb9, 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
Plasmodium berghei multidrug resistance protein 1, 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
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 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 ABC transporter, 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
Trichomonas vaginalis ATP-binding cassette transporter, 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
Leishmania mexicana p-glycoprotein 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 Multidrug resistance protein 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
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
Echinococcus multilocularis 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
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma mansoni smdr2 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 transmembrane multidrug efflux pump 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
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
Entamoeba histolytica P-glycoprotein-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 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
Plasmodium knowlesi multidrug resistance protein 1, 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
Leishmania major ATP-binding cassette protein subfamily B, member 2, 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
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 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
Schistosoma japonicum Bile salt export pump, 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 ABC transporter, half 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
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, 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 ATP-binding cassette transporter, 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
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
Leishmania donovani p-glycoprotein 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
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
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
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
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0004 0 0.5
Trichomonas vaginalis ABC transporter, putative 0.0013 0.0107 0.069
Trichomonas vaginalis ABC transporter, putative 0.0013 0.0107 0.069
Trichomonas vaginalis conserved hypothetical protein 0.0131 0.155 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0107 0.069
Trichomonas vaginalis Clan MH, family M28, aminopeptidase S-like metallopeptidase 0.0131 0.155 1
Loa Loa (eye worm) hypothetical protein 0.0131 0.155 0.155
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0107 0.069
Schistosoma mansoni NAALADASE L peptidase (M28 family) 0.0131 0.155 0.155
Onchocerca volvulus Fxna peptidase homolog 0.0131 0.155 0.1459
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0107 0.069
Schistosoma mansoni glutaminyl cyclase (M28 family) 0.0822 1 1
Leishmania major p-glycoprotein 0.0013 0.0107 0.069
Onchocerca volvulus Glutaminyl cyclase homolog 0.0822 1 1
Echinococcus granulosus multidrug resistance protein 1 0.0009 0.006 0.006
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0107 0.0107
Loa Loa (eye worm) multidrug resistance protein 3 0.0013 0.0107 0.0107
Loa Loa (eye worm) hypothetical protein 0.0013 0.0107 0.0107
Brugia malayi FXNA 0.0131 0.155 0.155
Echinococcus granulosus multidrug resistance protein 1 0.0013 0.0107 0.0107
Loa Loa (eye worm) hypothetical protein 0.0822 1 1
Toxoplasma gondii hypothetical protein 0.0131 0.155 1
Schistosoma mansoni smdr2 0.0013 0.0107 0.0107
Mycobacterium ulcerans hypothetical protein 0.0131 0.155 1
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0013 0.0107 0.5
Brugia malayi ABC transporter family protein 0.0013 0.0107 0.0107
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0107 0.069
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0107 0.069
Echinococcus multilocularis glutaminyl peptide cyclotransferase 0.0822 1 1
Schistosoma mansoni multidrug resistance protein 0.0013 0.0107 0.0107
Leishmania major hypothetical protein, conserved 0.0131 0.155 1
Echinococcus granulosus multidrug resistance protein 1 0.0013 0.0107 0.0107
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0107 0.069
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0107 0.0107
Toxoplasma gondii peptidase, M28 family protein 0.0131 0.155 1
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0131 0.155 0.155
Schistosoma mansoni glutaminyl-peptide cyclotransferase-related 0.0131 0.155 0.155
Onchocerca volvulus Fxna peptidase homolog 0.0131 0.155 0.1459
Trichomonas vaginalis ABC transporter, putative 0.0013 0.0107 0.069
Entamoeba histolytica P-glycoprotein-2, putative 0.0013 0.0107 1
Schistosoma mansoni multidrug resistance protein 0.0013 0.0107 0.0107
Plasmodium falciparum multidrug resistance protein 1 0.0013 0.0107 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0105 0.0105
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0131 0.155 0.155
Leishmania major glutaminyl cyclase, putative 0.0131 0.155 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0013 0.0107 0.0107
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0107 0.069
Trypanosoma cruzi glutaminyl cyclase, putative 0.0131 0.155 1
Entamoeba histolytica P-glycoprotein-5 0.0013 0.0107 1
Trichomonas vaginalis abcb9, putative 0.0013 0.0107 0.069
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0013 0.0107 0.0107
Trichomonas vaginalis ABC transporter, putative 0.0013 0.0107 0.069
Giardia lamblia ABC transporter, putative 0.0004 0 0.5
Wolbachia endosymbiont of Brugia malayi ABC-type protease secretion system, ATPase and permease component, AprD 0.0004 0 0.5
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0013 0.0107 0.069
Loa Loa (eye worm) hypothetical protein 0.0131 0.155 0.155
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0107 0.069
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0107 0.069
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0107 0.069
Loa Loa (eye worm) leucyl aminopeptidase 0.0131 0.155 0.155
Trichomonas vaginalis conserved hypothetical protein 0.0131 0.155 1
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0013 0.0105 0.0105
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0107 0.069
Giardia lamblia Multidrug resistance-associated protein 1 0.0004 0 0.5
Schistosoma mansoni nicalin (M28 family) 0.0131 0.155 0.155
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0107 0.069
Echinococcus multilocularis ATP binding cassette sub family B 0.0013 0.0105 0.0105
Echinococcus multilocularis multidrug resistance protein 1 0.0013 0.0107 0.0107
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0107 0.069
Mycobacterium tuberculosis Probable lipoprotein aminopeptidase LpqL 0.0131 0.155 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0013 0.0107 0.0107
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0013 0.0107 0.069
Trichomonas vaginalis conserved hypothetical protein 0.0131 0.155 1
Entamoeba histolytica P-glycoprotein-2 0.0013 0.0107 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0107 0.069
Giardia lamblia MRP-like ABC transporter 0.0004 0 0.5
Trichomonas vaginalis taga, putative 0.0013 0.0107 0.069
Echinococcus granulosus glutaminyl peptide cyclotransferase 0.0822 1 1
Trypanosoma brucei glutaminyl cyclase, putative 0.0131 0.155 1
Mycobacterium tuberculosis Conserved protein 0.0131 0.155 1
Entamoeba histolytica P-glycoprotein-1 0.0013 0.0107 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0107 0.0107
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0107 0.069
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0131 0.155 0.155
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0013 0.0107 0.0107
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 0.0131 0.155 0.155
Loa Loa (eye worm) hypothetical protein 0.0131 0.155 0.155
Trichomonas vaginalis abcb9, putative 0.0013 0.0107 0.069
Echinococcus granulosus multidrug resistance protein 1 0.0009 0.006 0.006
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0107 0.0107
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0107 0.0107
Onchocerca volvulus Fxna peptidase homolog 0.0131 0.155 0.1459
Mycobacterium ulcerans lipoprotein aminopeptidase LpqL 0.0131 0.155 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0107 0.069
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0107 0.069
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0107 0.069
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0004 0 0.5
Onchocerca volvulus 0.0131 0.155 0.1459
Loa Loa (eye worm) hypothetical protein 0.0013 0.0107 0.0107
Trichomonas vaginalis abcb9, putative 0.0013 0.0107 0.069
Entamoeba histolytica P-glyco protein 6, putative 0.0013 0.0107 1
Brugia malayi multidrug resistance protein 3 0.0013 0.0107 0.0107
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0013 0.0107 0.069
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0013 0.0107 0.069
Echinococcus multilocularis multidrug resistance protein 1 0.0009 0.006 0.006
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0009 0.006 0.0387
Brugia malayi nicalin 0.0131 0.155 0.155
Entamoeba histolytica P-glycoprotein-2 0.0013 0.0107 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0107 0.069
Entamoeba histolytica P-glycoprotein 5, putative 0.0013 0.0107 1
Echinococcus granulosus multidrug resistance protein 1 0.0013 0.0107 0.0107
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0131 0.155 0.155
Giardia lamblia Multidrug resistance-associated protein 1 0.0004 0 0.5
Plasmodium vivax multidrug resistance protein 1, putative 0.0013 0.0107 1
Echinococcus multilocularis multidrug resistance protein 1 0.0013 0.0107 0.0107
Brugia malayi leucyl aminopeptidase 0.0131 0.155 0.155
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0013 0.0107 0.069
Trypanosoma cruzi glutaminyl cyclase, putative 0.0131 0.155 1
Schistosoma mansoni multidrug resistance protein 0.0013 0.0107 0.0107
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0013 0.0107 0.069
Wolbachia endosymbiont of Brugia malayi ABC-type multidrug transport system, ATPase and permease component 0.0004 0 0.5
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0013 0.0107 0.0107
Schistosoma mansoni Fxna peptidase (M28 family) 0.0131 0.155 0.155
Loa Loa (eye worm) hypothetical protein 0.0131 0.155 0.155
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0107 0.069

Activities

Activity type Activity value Assay description Source Reference
clogP = 4.93 Calculated partition coefficient (clogP) (Molgen) ChEMBL. 14584949
clogP = 6.14 Calculated partition coefficient (clogP) (HINT) ChEMBL. 14584949
EC50 (binding) = 0.07 uM Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay ChEMBL. 17352460
EC50 (binding) = 0.07 uM Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay ChEMBL. 17352460
ED50 (functional) = 41 nM The chemosensitizing effect of the compound was measured against P-glycoprotein expressing CCRF-CEM cells in the presence of 5 microM daunomycin ChEMBL. 7629817
ED50 (functional) = 41 nM The chemosensitizing effect of the compound was measured against P-glycoprotein expressing CCRF-CEM cells in the presence of 5 microM daunomycin ChEMBL. 7629817
ED50 (functional) = 1024 nM The effective dose of the compound was measured against P-glycoprotein expressing CCRF-CEM cells in the presence of 5 microM etoposide ChEMBL. 7629817
ED50 (functional) = 1024 nM The effective dose of the compound was measured against P-glycoprotein expressing CCRF-CEM cells in the presence of 5 microM etoposide ChEMBL. 7629817
ED50 (functional) = 0.15 uM l-1 Effective dose against CCRF-CEM vcr 100 cells by using MTT assay ChEMBL. 8941391
ED50 (functional) = 0.15 uM l-1 Effective dose against CCRF-CEM vcr 100 cells by using MTT assay ChEMBL. 8941391
ED50 (functional) = 0.16 uM l-1 Effective dose against CCRF-CEM vcr 100 cells by using rhodamine efflux studies. ChEMBL. 8941391
ED50 (functional) = 0.16 uM l-1 Effective dose against CCRF-CEM vcr 100 cells by using rhodamine efflux studies. ChEMBL. 8941391
IC50 (functional) = 0.14 uM In vitro multi drug resistance (MDR) reversal inhibitory activity against CCRF-CEM/VCR-1000 cell line ChEMBL. 14584949
IC50 (functional) = 0.14 uM In vitro multi drug resistance (MDR) reversal inhibitory activity against CCRF-CEM/VCR-1000 cell line ChEMBL. 14584949
logP (ADMET) = 4.93 Partition coefficient (logP) ChEMBL. 8941391
RP (functional) = 3.4 The reversion potency of compound was measured against P-glycoprotein expressing CCRF-CEM cells and expressed as the ratio of ED50 of the compound in the absence and presence of etoposide ChEMBL. 7629817
RP (functional) = 34 The reversion potency of compound was measured against P-glycoprotein expressing CCRF-CEM cells and expressed as the ratio of ED50 of the compound in the absence and presence of daunomycin ChEMBL. 7629817
Uptake (functional) = 92 % The percentage uptake of [3H]-daunomycin in resistant CCRF-CEM vcr 100 cells to sensitive CCRF-CEM cells in presence of the compound. ChEMBL. 7629817
Uptake (functional) = 92 % The percentage uptake of [3H]-daunomycin in resistant CCRF-CEM vcr 100 cells to sensitive CCRF-CEM cells in presence of the compound. ChEMBL. 7629817

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.
 
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External resources for this compound

Bibliographic References

4 literature references were collected for this gene.

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