Detailed information for compound 1810129

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 493.037 | Formula: C29H33ClN2O3
  • H donors: 1 H acceptors: 2 LogP: 5.47 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: O[C@H](CN1CCN(CC1)c1ccccc1C)COc1ccccc1C(=O)CCc1ccc(cc1)Cl
  • InChi: 1S/C29H33ClN2O3/c1-22-6-2-4-8-27(22)32-18-16-31(17-19-32)20-25(33)21-35-29-9-5-3-7-26(29)28(34)15-12-23-10-13-24(30)14-11-23/h2-11,13-14,25,33H,12,15-21H2,1H3/t25-/m1/s1
  • InChiKey: RQGATCKDMKOCAI-RUZDIDTESA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATP-binding cassette, sub-family B (MDR/TAP), member 1 Starlite/ChEMBL No 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
Entamoeba histolytica P-glycoprotein 5, 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
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
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 3, 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
Trichomonas vaginalis taga, 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 lipid A export ATP-binding/permease protein msba, 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
Plasmodium knowlesi multidrug resistance protein 1, 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
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 ABC 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
Schistosoma mansoni smdr2 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 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
Neospora caninum ATP-binding cassette, sub-family B (MDR/TAP), member 4, related 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
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
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
Entamoeba histolytica P-glycoprotein-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
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
Leishmania infantum 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
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, 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
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
Schistosoma japonicum ATP-binding cassette sub-family B member 5, 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
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 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 granulosus 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
Schistosoma japonicum Bile salt export pump, 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 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
Plasmodium yoelii multidrug resistance 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 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
Trichomonas vaginalis ABC 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
Brugia malayi multidrug resistance protein 3 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 ABC transporter transmembrane region domain-containing protein Get druggable targets OG5_126596 All targets in OG5_126596
Entamoeba histolytica P-glycoprotein-2 Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis abcb9, putative Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma mansoni multidrug resistance protein Get druggable targets OG5_126596 All targets in OG5_126596
Entamoeba histolytica P-glycoprotein-2 Get druggable targets OG5_126596 All targets in OG5_126596
Loa Loa (eye worm) hypothetical 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
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 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 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 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
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, 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
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
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
Chlamydia trachomatis ABC transporter ATP binding protein/permease 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
Trichomonas vaginalis abcb9, 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 ABC transporter, half transporter, 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 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
Schistosoma mansoni multidrug resistance protein 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
Trichomonas vaginalis ATP-binding cassette 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
Trichomonas vaginalis ABC 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 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
Leishmania mexicana p-glycoprotein 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 granulosus 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
Plasmodium falciparum multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis abcb9, putative Get druggable targets OG5_126596 All targets in OG5_126596
Onchocerca volvulus 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
Plasmodium falciparum FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0072 0.0603 1
Echinococcus multilocularis geminin 0.1056 1 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0219 0.0219
Loa Loa (eye worm) glycerol-3-phosphate dehydrogenase 0.0072 0.0603 0.0724
Mycobacterium tuberculosis Possible hydrolase 0.0015 0.0063 0.0035
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0037 0.0161
Schistosoma mansoni cpg binding protein 0.0031 0.021 0.0188
Entamoeba histolytica metallo-beta-lactamase superfamily protein 0.0015 0.0063 0.0463
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0072 0.0603 1
Entamoeba histolytica metallo-beta-lactamase family protein 0.0015 0.0063 0.0463
Brugia malayi dimethylglycine dehydrogenase, mitochondrial precursor, putative 0.0072 0.0603 0.2786
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0037 0.0037
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0013 0.0037 0.0037
Schistosoma mansoni survival motor neuron protein 0.0047 0.0368 0.0345
Echinococcus granulosus cpg binding protein 0.0031 0.021 0.021
Loa Loa (eye worm) hypothetical protein 0.0035 0.0245 0.0286
Entamoeba histolytica hypothetical protein 0.0035 0.0248 0.3728
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.0519 0.0497
Onchocerca volvulus 0.0047 0.0368 0.1473
Loa Loa (eye worm) hypothetical protein 0.0864 0.8163 1
Mycobacterium ulcerans glycerol-3-phosphate dehydrogenase 0.0072 0.0603 0.0666
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0097 1
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0072 0.0603 1
Schistosoma mansoni hypothetical protein 0.0015 0.0063 0.004
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0037 0.0161
Brugia malayi RE18450p 0.0072 0.0603 0.2786
Echinococcus granulosus ETHE1 protein 0.0015 0.0063 0.0063
Brugia malayi hypothetical protein 0.0035 0.0248 0.1113
Leishmania major hypothetical protein, conserved 0.0025 0.0156 0.2102
Loa Loa (eye worm) hypothetical protein 0.0015 0.0063 0.0062
Entamoeba histolytica metallo-beta-lactamase family protein 0.0015 0.0063 0.0463
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0156 0.2102
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0097 0.0081
Brugia malayi Pre-SET motif family protein 0.0218 0.1997 0.9356
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0248 0.0225
Brugia malayi metallo-beta-lactamase superfamily protein 0.0015 0.0063 0.0243
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0139 0.1243 0.1223
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0037 0.0161
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0072 0.0603 1
Brugia malayi metallo-beta-lactamase superfamily protein 0.0015 0.0063 0.0243
Entamoeba histolytica alkyl sulfatase, putative 0.0015 0.0063 0.0463
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0068 0.0068
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0219 0.0219
Schistosoma mansoni fad oxidoreductase 0.0072 0.0603 0.0581
Loa Loa (eye worm) hypothetical protein 0.0072 0.0603 0.0724
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0219 0.322
Echinococcus multilocularis glycerol 3 phosphate dehydrogenase 0.0072 0.0603 0.0603
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0398 0.0473
Loa Loa (eye worm) hypothetical protein 0.0013 0.0037 0.003
Loa Loa (eye worm) hydroxyacylglutathione hydrolase 0.0015 0.0063 0.0062
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0097 0.1071
Brugia malayi Pre-SET motif family protein 0.0032 0.0219 0.0978
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0037 0.0037
Trichomonas vaginalis set domain proteins, putative 0.0248 0.2284 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0037 0.0161
Trichomonas vaginalis ABC transporter, putative 0.0013 0.0037 0.0161
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0248 0.0248
Loa Loa (eye worm) multidrug resistance protein 3 0.0013 0.0037 0.003
Toxoplasma gondii hypothetical protein 0.0072 0.0603 1
Trichomonas vaginalis beta lactamase domain, putative 0.0015 0.0063 0.0275
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0072 0.0603 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0097 0.0097
Echinococcus granulosus FAD dependent oxidoreductase domain containing protein 0.0072 0.0603 0.0603
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0139 0.1243 0.1243
Echinococcus multilocularis tumor protein p63 0.033 0.3071 0.3071
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0156 0.2102
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0219 0.0196
Schistosoma mansoni hydroxyacylglutathione hydrolase (Glyoxalase II) (Glx II) 0.0015 0.0063 0.004
Loa Loa (eye worm) hypothetical protein 0.0153 0.1379 0.1676
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0097 0.0637
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0139 0.1243 0.1223
Echinococcus granulosus metallo beta lactamase domain containing protein 0.0015 0.0063 0.0063
Echinococcus granulosus multidrug resistance protein 1 0.0013 0.0037 0.0037
Echinococcus granulosus multidrug resistance protein 1 0.0013 0.0037 0.0037
Mycobacterium tuberculosis Possible hydrolase 0.0015 0.0063 0.0035
Trichomonas vaginalis beta lactamase domain, putative 0.0015 0.0063 0.0275
Brugia malayi hypothetical protein 0.0015 0.0063 0.0243
Mycobacterium tuberculosis Conserved hypothetical protein 0.0015 0.0063 0.0035
Loa Loa (eye worm) hypothetical protein 0.0015 0.0063 0.0062
Mycobacterium tuberculosis Beta lactamase like protein 0.0015 0.0063 0.0035
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0068 0.0266
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0037 0.0161
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.0063 0.0275
Trichomonas vaginalis ABC transporter, putative 0.0013 0.0037 0.0161
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0097 0.0042
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), mitochondrial 0.0072 0.0603 1
Brugia malayi Chain A, Human Glyoxalase Ii With Cacodylate And Acetate Ions Present In The Active Site. 0.0015 0.0063 0.0243
Trypanosoma brucei FAD dependent oxidoreductase, putative 0.0072 0.0603 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0037 0.0037
Schistosoma mansoni ATP:guanidino kinase (Smc74) 0.0072 0.0603 0.0581
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0156 0.1719
Onchocerca volvulus 0.0029 0.0194 0.0702
Trichomonas vaginalis apoptosis inducing factor, putative 0.0015 0.0063 0.0275
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0219 0.0196
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0037 0.0161
Echinococcus granulosus GPCR family 2 0.0016 0.0068 0.0068
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0013 0.0037 0.0161
Echinococcus granulosus hydroxyacylglutathione hydrolase 0.0015 0.0063 0.0063
Trichomonas vaginalis abcb9, putative 0.0013 0.0037 0.0161
Brugia malayi hypothetical protein 0.0153 0.1379 0.6443
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0023 0.0023
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0097 0.0405
Trypanosoma brucei electron transfer flavoprotein-ubiquinone oxidoreductase, putative 0.0072 0.0603 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0097 0.0426
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0156 0.2102
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0156 0.1719
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0097 0.1071
Leishmania major hypothetical protein, conserved 0.0015 0.0063 0.0463
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0013 0.0037 0.0037
Schistosoma mansoni hypothetical protein 0.0015 0.0063 0.004
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0202 0.0202
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0013 0.0035 0.0035
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0139 0.1243 0.5805
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0037 0.0161
Schistosoma mansoni hypothetical protein 0.0016 0.0068 0.0045
Schistosoma mansoni hypothetical protein 0.1056 1 1
Toxoplasma gondii metallo-beta-lactamase domain-containing protein 0.0015 0.0063 0.0463
Schistosoma mansoni hypothetical protein 0.0417 0.3894 0.388
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0013 0.0037 0.0037
Echinococcus multilocularis dnaJ subfamily B 0.0417 0.3894 0.3894
Entamoeba histolytica type A flavoprotein, putative 0.0015 0.0063 0.0463
Loa Loa (eye worm) hypothetical protein 0.0013 0.0037 0.003
Trichomonas vaginalis beta lactamase domain, putative 0.0015 0.0063 0.0275
Trichomonas vaginalis ABC transporter, putative 0.0013 0.0037 0.0161
Echinococcus multilocularis hydroxyacylglutathione hydrolase 0.0015 0.0063 0.0063
Chlamydia trachomatis ribonuclease Z 0.0015 0.0063 0.0463
Mycobacterium tuberculosis Possible thiamine biosynthesis oxidoreductase ThiO 0.0072 0.0603 0.0761
Plasmodium vivax FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0072 0.0603 1
Plasmodium vivax hydroxyacyl glutathione hydrolase, putative 0.0015 0.0063 0.0463
Leishmania major hypothetical protein, conserved 0.0072 0.0603 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0156 0.1719
Echinococcus multilocularis GPCR, family 2 0.0016 0.0068 0.0068
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0015 0.0063 0.0062
Schistosoma mansoni ap endonuclease 0.0019 0.0097 0.0074
Echinococcus multilocularis cpg binding protein 0.0031 0.021 0.021
Loa Loa (eye worm) hypothetical protein 0.0032 0.0219 0.0253
Mycobacterium leprae Probable cholesterol oxidase precursor ChoD (cholesterol-O2 oxidoreductase) 0.0072 0.0603 0.0666
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0037 0.0037
Mycobacterium leprae Possible thiamine biosynthesis oxidoreductase ThiO 0.0072 0.0603 0.0666
Entamoeba histolytica hypothetical protein 0.0035 0.0248 0.3728
Echinococcus granulosus survival motor neuron protein 1 0.0232 0.2134 0.2134
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0097 1
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0013 0.0037 0.0161
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao 0.0792 0.7475 1
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0015 0.0063 0.0275
Echinococcus multilocularis multidrug resistance protein 1 0.0013 0.0037 0.0037
Brugia malayi hypothetical protein 0.0025 0.0156 0.068
Schistosoma mansoni hypothetical protein 0.0015 0.0063 0.004
Echinococcus granulosus tumor protein p63 0.033 0.3071 0.3071
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0139 0.1243 0.151
Schistosoma mansoni multidrug resistance protein 0.0013 0.0037 0.0014
Onchocerca volvulus Putative hydrolase PNKD 0.0015 0.0063 0.0117
Schistosoma mansoni hypothetical protein 0.0016 0.0068 0.0045
Brugia malayi cDNA sequence BC016226 0.0072 0.0603 0.2786
Schistosoma mansoni cpg binding protein 0.0029 0.0194 0.0172
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.0063 0.0275
Leishmania major glycerol-3-phosphate dehydrogenase-like protein 0.0072 0.0603 1
Onchocerca volvulus 0.0015 0.0063 0.0117
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0398 0.1822
Plasmodium vivax unspecified product 0.0015 0.0063 0.0463
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0097 0.0104
Entamoeba histolytica anaerobic glycerol-3-phosphate dehydrogenase subunit A, putative 0.0072 0.0603 1
Schistosoma mansoni multidrug resistance protein 0.0013 0.0037 0.0014
Trichomonas vaginalis taga, putative 0.0013 0.0037 0.0161
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0037 0.0161
Mycobacterium tuberculosis Conserved protein 0.0015 0.0063 0.0035
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0097 0.1071
Echinococcus granulosus zinc phosphodiesterase 0.0015 0.0063 0.0063
Onchocerca volvulus 0.0015 0.0063 0.0117
Schistosoma mansoni cpg binding protein 0.0031 0.021 0.0188
Leishmania major hypothetical protein, conserved 0.0072 0.0603 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0013 0.0037 0.0037
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0139 0.1243 0.1243
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0097 0.0637
Schistosoma mansoni smdr2 0.0013 0.0037 0.0014
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0037 0.0161
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0037 0.0161
Echinococcus multilocularis FAD dependent oxidoreductase domain containing protein 0.0072 0.0603 0.0603
Loa Loa (eye worm) hypothetical protein 0.0051 0.0398 0.0473
Mycobacterium tuberculosis Conserved protein 0.0015 0.0063 0.0035
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0068 0.0068
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0245 0.1102
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0194 0.0223
Mycobacterium ulcerans D-amino acid oxidase Aao 0.0072 0.0603 0.0666
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0068 0.0266
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0013 0.0013
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0139 0.1243 0.1243
Loa Loa (eye worm) hypothetical protein 0.0013 0.0035 0.0028
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0097 0.0637
Schistosoma mansoni hypothetical protein 0.0016 0.0068 0.0045
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0013 0.0013
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0037 0.0161
Schistosoma mansoni ap endonuclease 0.0019 0.0097 0.0074
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.0063 0.0275
Mycobacterium ulcerans thiamine biosynthesis oxidoreductase ThiO 0.0072 0.0603 0.0666
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0097 0.1071
Onchocerca volvulus Putative fad oxidoreductase 0.0072 0.0603 0.2518
Echinococcus multilocularis zinc phosphodiesterase 0.0015 0.0063 0.0063
Toxoplasma gondii FAD-dependent glycerol-3-phosphate dehydrogenase 0.0072 0.0603 1
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.0063 0.0275
Echinococcus granulosus glycerol 3 phosphate dehydrogenase 0.0072 0.0603 0.0603
Plasmodium vivax SET domain protein, putative 0.0032 0.0219 0.322
Trichomonas vaginalis abcb9, putative 0.0013 0.0037 0.0161
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0037 0.0161
Echinococcus granulosus multidrug resistance protein 1 0.0013 0.0037 0.0037
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0068 0.0068
Mycobacterium tuberculosis Conserved hypothetical protein 0.0015 0.0063 0.0035
Onchocerca volvulus Hydroxyacylglutathione hydrolase, mitochondrial homolog 0.0015 0.0063 0.0117
Loa Loa (eye worm) hypothetical protein 0.0232 0.2134 0.2603
Echinococcus multilocularis ETHE1 protein 0.0015 0.0063 0.0063
Brugia malayi pyruvate dehydrogenase phosphatase regulatory subunit precursor 0.0072 0.0603 0.2786
Brugia malayi hypothetical protein 0.0232 0.2134 1
Echinococcus multilocularis metallo beta lactamase domain containing protein 0.0015 0.0063 0.0063
Loa Loa (eye worm) hypothetical protein 0.0025 0.0156 0.0176
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0037 0.0161
Mycobacterium tuberculosis Conserved protein 0.0015 0.0063 0.0035
Leishmania major metallo-beta-lactamase family protein-like protein 0.0015 0.0063 0.0463
Echinococcus granulosus metallo beta lactamase domain containing protein 0.0015 0.0063 0.0063
Trichomonas vaginalis A-type flavoprotein 0.0015 0.0063 0.0275
Chlamydia trachomatis D-amino acid dehydrogenase 0.0072 0.0603 1
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0072 0.0603 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0219 0.0196
Schistosoma mansoni hypothetical protein 0.1056 1 1
Leishmania major metallo-beta-lactamase family-like protein 0.0015 0.0063 0.0463
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0139 0.1243 0.1243
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0037 0.0161
Leishmania major cleavage and polyadenylation specificity factor, putative 0.0015 0.0063 0.0463
Toxoplasma gondii hydroxyacylglutathione hydrolase 0.0015 0.0063 0.0463
Onchocerca volvulus 0.0048 0.0377 0.1515
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0248 0.0248
Entamoeba histolytica metallo-beta-lactamase family protein 0.0015 0.0063 0.0463
Loa Loa (eye worm) hypothetical protein 0.0072 0.0603 0.0724
Echinococcus multilocularis multidrug resistance protein 1 0.0013 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.0048 0.0377 0.0447
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0072 0.0603 1
Schistosoma mansoni hypothetical protein 0.0016 0.0068 0.0045
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0037 0.0161
Schistosoma mansoni d-amino acid oxidase 0.0864 0.8163 0.8159
Loa Loa (eye worm) hypothetical protein 0.0015 0.0063 0.0062
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0097 0.0637
Entamoeba histolytica type A flavoprotein, putative 0.0015 0.0063 0.0463
Schistosoma mansoni hypothetical protein 0.0035 0.0248 0.0225
Plasmodium falciparum cytosolic glyoxalase II 0.0015 0.0063 0.0463
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0139 0.1243 0.1223
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0377 0.0355
Entamoeba histolytica alkyl sulfatase, putative 0.0015 0.0063 0.0463
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0013 0.0037 0.003
Loa Loa (eye worm) hypothetical protein 0.0016 0.0068 0.0068
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0218 0.1997 0.2435
Toxoplasma gondii histone lysine methyltransferase SET1 0.0057 0.0455 0.7397
Leishmania major hydroxyacylglutathione hydrolase, putative,glyoxalase II, putative 0.0015 0.0063 0.0463
Trichomonas vaginalis beta lactamase domain, putative 0.0015 0.0063 0.0275
Trichomonas vaginalis beta lactamase domain, putative 0.0015 0.0063 0.0275
Schistosoma mansoni NAD dehydrogenase 0.0072 0.0603 0.0581
Onchocerca volvulus Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial homolog 0.0072 0.0603 0.2518
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0068 0.0068
Trichomonas vaginalis abcb9, putative 0.0013 0.0037 0.0161
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0037 0.0161
Brugia malayi hypothetical protein 0.0016 0.007 0.0278
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 20 0.0072 0.0603 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0097 0.0426
Brugia malayi multidrug resistance protein 3 0.0013 0.0037 0.0119
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 0.0864 0.8163 1
Brugia malayi ABC transporter family protein 0.0013 0.0037 0.0119
Onchocerca volvulus 0.0153 0.1379 0.5973
Brugia malayi ethe1-prov protein 0.0015 0.0063 0.0243
Trichomonas vaginalis beta lactamase domain, putative 0.0015 0.0063 0.0275
Echinococcus multilocularis metallo beta lactamase domain containing protein 0.0015 0.0063 0.0063
Schistosoma mansoni hypothetical protein 0.0047 0.0368 0.0345
Trichomonas vaginalis ABC transporter, putative 0.0013 0.0037 0.0161
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0037 0.0161
Trypanosoma brucei L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0072 0.0603 1
Brugia malayi CXXC zinc finger family protein 0.0029 0.0194 0.0863
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.0063 0.0275
Loa Loa (eye worm) hydroxyacylglutathione hydrolase cytoplasmic 0.0015 0.0063 0.0062
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0156 0.2102
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0219 0.0196
Mycobacterium ulcerans D-amino acid oxidase Aao 0.0864 0.8163 1
Mycobacterium ulcerans glycerol-3-phosphate dehydrogenase GlpD2 0.0072 0.0603 0.0666
Schistosoma mansoni hypothetical protein 0.0035 0.0245 0.0223
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0097 0.0097
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0368 0.1679
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0037 0.0161
Mycobacterium tuberculosis Conserved hypothetical protein 0.0015 0.0063 0.0035
Onchocerca volvulus 0.0248 0.2284 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0603 0.0724
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0037 0.0161
Onchocerca volvulus 0.0032 0.0219 0.0811
Schistosoma mansoni zinc phosphodiesterase 0.0015 0.0063 0.004
Entamoeba histolytica hypothetical protein 0.0035 0.0248 0.3728
Loa Loa (eye worm) metallo-beta-lactamase superfamily protein 0.0015 0.0063 0.0062
Schistosoma mansoni multidrug resistance protein 0.0013 0.0037 0.0014
Entamoeba histolytica hypothetical protein 0.0035 0.0248 0.3728
Schistosoma mansoni fad oxidoreductase 0.0072 0.0603 0.0581
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0037 0.0037
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0398 0.1822
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0219 0.0219
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0072 0.0603 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0023 0.0023
Toxoplasma gondii exonuclease III APE 0.0019 0.0097 0.1071
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.0063 0.0275
Echinococcus granulosus dnaJ subfamily B 0.0417 0.3894 0.3894
Entamoeba histolytica hypothetical protein, conserved 0.0015 0.0063 0.0463
Onchocerca volvulus Dimethylglycine dehydrogenase, mitochondrial homolog 0.0072 0.0603 0.2518
Trypanosoma cruzi FAD dependent oxidoreductase, putative 0.0072 0.0603 1
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase, putative 0.0072 0.0603 1
Echinococcus multilocularis survival motor neuron protein 1 0.0232 0.2134 0.2134
Entamoeba histolytica metallo-beta-lactamase superfamily protein 0.0015 0.0063 0.0463
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0037 0.0161
Schistosoma mansoni zinc phosphodiesterase 0.0015 0.0063 0.004
Echinococcus multilocularis ATP binding cassette sub family B 0.0013 0.0035 0.0035
Schistosoma mansoni glycerol-3-phosphate dehydrogenase 0.0072 0.0603 0.0581

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 7.72 SUPPLEMENTARY: Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay. Same assay as CHEMBL914418 ChEMBL. No reference

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

No literature references available for this target.

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