Detailed information for compound 932883

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 599.713 | Formula: C36H41NO7
  • H donors: 0 H acceptors: 2 LogP: 7.63 Rotable bonds: 18
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1cc(/C=C/C(=O)OCCCCN(CCCCOC(=O)c2c3ccccc3cc3c2cccc3)C)cc(c1OC)OC
  • InChi: 1S/C36H41NO7/c1-37(19-9-11-21-43-33(38)18-17-26-23-31(40-2)35(42-4)32(24-26)41-3)20-10-12-22-44-36(39)34-29-15-7-5-13-27(29)25-28-14-6-8-16-30(28)34/h5-8,13-18,23-25H,9-12,19-22H2,1-4H3/b18-17+
  • InChiKey: AIHHSLLQSRUQIA-ISLYRVAYSA-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 References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
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
Schistosoma mansoni multidrug resistance protein Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis abcb9, 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
Echinococcus multilocularis multidrug resistance protein 1 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 lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ABC transporter, half transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis 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
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
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 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
Onchocerca volvulus 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
Leishmania mexicana 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
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Candida albicans potential ABC transporter similar to S. cerevisiae STE6 (YKL209C) involved in peptide pheromone export Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 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
Echinococcus granulosus multidrug resistance protein 1 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 japonicum Multidrug resistance protein 3, 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 Multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
Plasmodium falciparum multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania donovani ATP-binding cassette protein subfamily B, member 2, 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
Entamoeba histolytica P-glycoprotein-2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 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 berghei 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
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma mansoni multidrug resistance protein Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ABC transporter, half transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ATP-binding cassette transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum ATP-binding cassette sub-family B member 5, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, 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
Schistosoma japonicum Bile salt export pump, 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
Plasmodium vivax multidrug resistance protein 1, 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
Plasmodium yoelii 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 major 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
Trichomonas vaginalis ATP-binding cassette 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
Schistosoma mansoni multidrug resistance protein 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
Leishmania infantum p-glycoprotein 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
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
Plasmodium knowlesi 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
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
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
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania donovani p-glycoprotein 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-2 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
Brugia malayi multidrug resistance protein 3 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 major 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
Entamoeba histolytica P-glycoprotein-1 Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma mansoni smdr2 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 ko:K05659 ATP-binding cassette, subfamily B (MDR/TAP), member 4, 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
Loa Loa (eye worm) multidrug resistance protein 3 Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum Multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
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 multidrug resistance protein 1, 2, 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 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
Schistosoma japonicum Multidrug resistance protein 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus 5'partial|ATP binding cassette sub family B Get druggable targets OG5_126596 All targets in OG5_126596
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
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
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0206 0.0235
Loa Loa (eye worm) phosphofructokinase 0.012 0.4464 0.5097
Trichomonas vaginalis phosphofructokinase, putative 0.0032 0.1038 0.0974
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.1059 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0493 0.1047
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0269 0.0201
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0032 0.1038 1
Plasmodium vivax 6-phosphofructokinase, putative 0.0032 0.1038 0.9788
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0206 0.029
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0008 0.007 0.0094
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0206 0.029
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0013 0.0269 0.0454
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0206 0.029
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0269 0.0201
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0206 0.029
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.1745 0.2462
Trichomonas vaginalis abcb9, putative 0.0013 0.0269 0.0201
Trichomonas vaginalis abcb9, putative 0.0013 0.0269 0.0201
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0206 0.029
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0269 0.0201
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0008 0.007 0.0094
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0008 0.007 0.0094
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0026 0.0793 0.1725
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0206 0.029
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0793 0.0906
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.1059 0.1494
Plasmodium vivax SET domain protein, putative 0.0033 0.1059 1
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0008 0.007 0.0094
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0206 0.0235
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0026 0.0793 0.1646
Echinococcus multilocularis multidrug resistance protein 1 0.0013 0.0269 0.038
Echinococcus granulosus 6 phosphofructokinase 0.012 0.4464 0.6298
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0008 0.007 0.008
Loa Loa (eye worm) hypothetical protein 0.0013 0.0269 0.0308
Echinococcus granulosus tar DNA binding protein 0.007 0.2505 0.3535
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0793 0.1646
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.012 0.4464 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0206 0.0235
Entamoeba histolytica P-glycoprotein-5 0.0013 0.0269 0.0454
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0013 0.0269 0.038
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0206 0.0235
Onchocerca volvulus Bile acid receptor homolog 0.0011 0.0206 0.0137
Brugia malayi multidrug resistance protein 3 0.0013 0.0269 0.0308
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0206 0.0235
Schistosoma mansoni coup transcription factor 0.0011 0.0206 0.029
Entamoeba histolytica P-glycoprotein 5, putative 0.0013 0.0269 0.0454
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0793 0.1646
Echinococcus multilocularis geminin 0.0186 0.7088 1
Entamoeba histolytica phosphofructokinase, putative 0.012 0.4464 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0206 0.029
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0206 0.029
Plasmodium falciparum acyl-CoA synthetase 0.0019 0.0535 0.48
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0269 0.0201
Trichomonas vaginalis abcb9, putative 0.0013 0.0269 0.0201
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0206 0.029
Schistosoma mansoni tar DNA-binding protein 0.007 0.2505 0.3535
Trichomonas vaginalis phosphofructokinase, putative 0.0032 0.1038 0.0974
Brugia malayi Pre-SET motif family protein 0.0229 0.8758 1
Schistosoma mansoni tar DNA-binding protein 0.007 0.2505 0.3535
Brugia malayi AMP-binding enzyme family protein 0.0008 0.007 0.008
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0269 0.0201
Schistosoma mansoni acetyl-CoA synthetase 0.0008 0.007 0.0099
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0206 0.029
Loa Loa (eye worm) hypothetical protein 0.0019 0.0535 0.061
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0269 0.0201
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0206 0.029
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0008 0.007 0.008
Echinococcus granulosus multidrug resistance protein 1 0.0013 0.0269 0.038
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0206 0.029
Toxoplasma gondii phosphofructokinase PFKII 0.0032 0.1038 0.9788
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0206 0.029
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0013 0.0269 0.2017
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0269 0.0201
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0269 0.038
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0206 0.0235
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.1059 0.1494
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.0793 0.1646
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0206 0.029
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.1745 0.2462
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0013 0.0269 0.038
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0206 0.029
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0206 0.029
Entamoeba histolytica P-glycoprotein-2, putative 0.0013 0.0269 0.0454
Schistosoma mansoni 6-phosphofructokinase 0.012 0.4464 0.6298
Schistosoma mansoni multidrug resistance protein 0.0013 0.0269 0.038
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0019 0.0535 0.1057
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0206 0.0235
Brugia malayi nuclear hormone receptor 0.0011 0.0206 0.0235
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.1745 0.1992
Brugia malayi phosphofructokinase 0.012 0.4464 0.5097
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.1745 0.2462
Brugia malayi TAR-binding protein 0.007 0.2505 0.2861
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0206 0.0235
Loa Loa (eye worm) hypothetical protein 0.0019 0.0535 0.061
Schistosoma mansoni smdr2 0.0013 0.0269 0.038
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.007 0.0094
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0013 0.0269 0.2017
Trichomonas vaginalis phosphofructokinase, putative 0.012 0.4464 0.4425
Mycobacterium ulcerans 6-phosphofructokinase 0.012 0.4464 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.1745 0.2462
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.1059 0.1494
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0269 0.0201
Loa Loa (eye worm) 6-phosphofructokinase 0.012 0.4464 0.5097
Toxoplasma gondii 6-phosphofructokinase 0.0032 0.1038 0.9788
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0008 0.007 0.0099
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.012 0.4464 1
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.007 0.0094
Echinococcus multilocularis ATP binding cassette sub family B 0.0013 0.0264 0.0372
Loa Loa (eye worm) hypothetical protein 0.0026 0.0793 0.0906
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0269 0.0201
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.012 0.4464 1
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0032 0.1038 1
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0793 0.0906
Schistosoma mansoni multidrug resistance protein 0.0013 0.0269 0.038
Trichomonas vaginalis taga, putative 0.0013 0.0269 0.0201
Echinococcus granulosus multidrug resistance protein 1 0.0013 0.0269 0.038
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0026 0.0793 0.1646
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.1059 0.1494
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0013 0.0269 0.038
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0008 0.007 0.0094
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0032 0.1038 0.9788
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0206 0.029
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0793 0.1646
Brugia malayi 6-phosphofructokinase 0.012 0.4464 0.5097
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0206 0.0235
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0269 0.0201
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0269 0.0201
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0206 0.0235
Brugia malayi AMP-binding enzyme family protein 0.0008 0.007 0.008
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0032 0.1038 0.5
Loa Loa (eye worm) hypothetical protein 0.0026 0.0793 0.0906
Loa Loa (eye worm) hypothetical protein 0.0011 0.0206 0.0235
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0206 0.0235
Onchocerca volvulus 0.0033 0.1059 0.0996
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0206 0.029
Brugia malayi Pre-SET motif family protein 0.0033 0.1059 0.1209
Echinococcus granulosus multidrug resistance protein 1 0.0009 0.0118 0.0167
Loa Loa (eye worm) hypothetical protein 0.0011 0.0206 0.0235
Entamoeba histolytica P-glyco protein 6, putative 0.0013 0.0269 0.0454
Brugia malayi AMP-binding enzyme family protein 0.0008 0.007 0.008
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0793 0.1646
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0013 0.0269 0.0308
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0008 0.007 0.0094
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.1011 0.1427
Trichomonas vaginalis phosphofructokinase, putative 0.012 0.4464 0.4425
Schistosoma mansoni multidrug resistance protein 0.0013 0.0269 0.038
Schistosoma mansoni hypothetical protein 0.0186 0.7088 1
Echinococcus multilocularis tar DNA binding protein 0.007 0.2505 0.3535
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0269 0.0201
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0013 0.0269 0.0544
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0032 0.1038 0.2202
Brugia malayi steroid hormone receptor 0.0011 0.0206 0.0235
Trichomonas vaginalis phosphofructokinase, putative 0.0032 0.1038 0.0974
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0206 0.0235
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0026 0.0793 0.1646
Loa Loa (eye worm) hypothetical protein 0.0019 0.0535 0.061
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.1059 0.1494
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.1059 0.1494
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0793 0.1646
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0.0206 0.0137
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0013 0.0269 0.0201
Trichomonas vaginalis ABC transporter, putative 0.0013 0.0269 0.0201
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0013 0.0269 0.038
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0535 0.1141
Schistosoma mansoni tar DNA-binding protein 0.007 0.2505 0.3535
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0206 0.0235
Entamoeba histolytica phosphofructokinase, putative 0.012 0.4464 1
Plasmodium vivax 6-phosphofructokinase, putative 0.0032 0.1038 0.9788
Echinococcus granulosus multidrug resistance protein 1 0.0013 0.0269 0.038
Brugia malayi RNA recognition motif domain containing protein 0.007 0.2505 0.2861
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0206 0.0235
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0269 0.0201
Brugia malayi ecdysteroid receptor 0.0011 0.0206 0.0235
Echinococcus multilocularis 6 phosphofructokinase 0.012 0.4464 0.6298
Trichomonas vaginalis phosphofructokinase, putative 0.0032 0.1038 0.0974
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0269 0.038
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0206 0.029
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0269 0.0201
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0008 0.007 0.008
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0008 0.007 0.008
Schistosoma mansoni tar DNA-binding protein 0.007 0.2505 0.3535
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0493 0.1047
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0206 0.029
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0269 0.038
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0013 0.0264 0.0372
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0793 0.1646
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0032 0.1038 1
Loa Loa (eye worm) multidrug resistance protein 3 0.0013 0.0269 0.0308
Loa Loa (eye worm) hypothetical protein 0.0008 0.007 0.008
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0269 0.038
Trichomonas vaginalis ABC transporter, putative 0.0013 0.0269 0.0201
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.007 0.0094
Loa Loa (eye worm) hypothetical protein 0.0008 0.007 0.008
Trichomonas vaginalis ABC transporter, putative 0.0013 0.0269 0.0201
Entamoeba histolytica P-glycoprotein-2 0.0013 0.0269 0.0454
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0206 0.0235
Entamoeba histolytica P-glycoprotein-2 0.0013 0.0269 0.0454
Loa Loa (eye worm) hypothetical protein 0.0011 0.0206 0.0235
Trichomonas vaginalis phosphofructokinase, putative 0.0032 0.1038 0.0974
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0793 0.1646
Brugia malayi AMP-binding enzyme family protein 0.0008 0.007 0.008
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0206 0.029
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.0793 0.1646
Loa Loa (eye worm) hypothetical protein 0.0019 0.0535 0.061
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0026 0.0793 0.1725
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0026 0.0793 0.1646
Entamoeba histolytica phosphofructokinase, putative 0.012 0.4464 1
Loa Loa (eye worm) 6-phosphofructokinase 0.012 0.4464 0.5097
Onchocerca volvulus 0.0011 0.0206 0.0137
Echinococcus granulosus multidrug resistance protein 1 0.0009 0.0118 0.0167
Leishmania major p-glycoprotein 0.0013 0.0269 0.0454
Mycobacterium ulcerans hypothetical protein 0.0026 0.0793 0.1646
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0206 0.029
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0206 0.029
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.1745 0.2462
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0206 0.0235
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0269 0.0201
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0206 0.0235
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0269 0.0201
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.1745 0.2462
Loa Loa (eye worm) hypothetical protein 0.0013 0.0264 0.0301
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0032 0.1038 1
Plasmodium vivax multidrug resistance protein 1, putative 0.0013 0.0269 0.2017
Loa Loa (eye worm) hypothetical protein 0.0013 0.0269 0.0308
Loa Loa (eye worm) hypothetical protein 0.0019 0.0535 0.061
Entamoeba histolytica P-glycoprotein-1 0.0013 0.0269 0.0454
Trichomonas vaginalis set domain proteins, putative 0.0261 1 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0793 0.0906
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.1059 0.1494
Schistosoma mansoni hypothetical protein 0.0186 0.7088 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.007 0.2505 0.2861
Trichomonas vaginalis phosphofructokinase, putative 0.012 0.4464 0.4425
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0013 0.0269 0.0201
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0206 0.029
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0206 0.029
Loa Loa (eye worm) RNA binding protein 0.007 0.2505 0.2861
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0008 0.007 0.0099
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0009 0.0118 0.0049
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0206 0.029
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0008 0.007 0.0094
Loa Loa (eye worm) oxidoreductase 0.0008 0.007 0.008
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0206 0.0235
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0793 0.1646
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0793 0.0906
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0019 0.0535 0.345
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0229 0.8758 1
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.012 0.4464 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0206 0.0235
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.012 0.4464 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0493 0.1047
Onchocerca volvulus 0.0013 0.0269 0.0201
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0206 0.0235
Trichomonas vaginalis ABC transporter, putative 0.0013 0.0269 0.0201
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0032 0.1038 0.0974
Loa Loa (eye worm) hypothetical protein 0.0011 0.0206 0.0235
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0206 0.0235
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0269 0.0201
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0206 0.029
Echinococcus multilocularis multidrug resistance protein 1 0.0013 0.0269 0.038
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0206 0.0235
Trichomonas vaginalis phosphofructokinase, putative 0.012 0.4464 0.4425
Onchocerca volvulus 0.0026 0.0793 0.0728
Plasmodium falciparum multidrug resistance protein 1 0.0013 0.0269 0.206
Trichomonas vaginalis phosphofructokinase, putative 0.0032 0.1038 0.0974
Brugia malayi 6-phosphofructokinase 0.012 0.4469 0.5103
Leishmania major ATP-dependent phosphofructokinase 0.012 0.4464 1
Brugia malayi nuclear receptor NHR-88 0.0011 0.0206 0.0235
Loa Loa (eye worm) hypothetical protein 0.0011 0.0206 0.0235
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0013 0.0269 0.0201
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0493 0.1047
Brugia malayi ABC transporter family protein 0.0013 0.0269 0.0308
Echinococcus multilocularis multidrug resistance protein 1 0.0009 0.0118 0.0167
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0206 0.0235
Brugia malayi RNA binding protein 0.007 0.2505 0.2861
Loa Loa (eye worm) hypothetical protein 0.0011 0.0206 0.0235
Plasmodium vivax acyl-CoA synthetase, putative 0.0019 0.0535 0.4698
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.007 0.0094
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0013 0.0269 0.038
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.1745 0.1992
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0013 0.0269 0.0201
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0206 0.0235
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0206 0.029
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0013 0.0269 0.0201
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0206 0.0235
Echinococcus granulosus geminin 0.0186 0.7088 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0206 0.029
Loa Loa (eye worm) hypothetical protein 0.0033 0.1059 0.1209
Loa Loa (eye worm) TAR-binding protein 0.007 0.2505 0.2861
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0.0206 0.0137
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0206 0.029
Loa Loa (eye worm) hypothetical protein 0.0011 0.0206 0.0235
Schistosoma mansoni tar DNA-binding protein 0.007 0.2505 0.3535
Schistosoma mansoni 6-phosphofructokinase 0.012 0.4464 0.6298
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.1745 0.2462
Entamoeba histolytica acyl-coA synthetase, putative 0.0026 0.0793 0.1646

Activities

Activity type Activity value Assay description Source Reference
Activity (ADMET) <= 20 % Intrinsic cytotoxicity against doxorubicin-resistant human K562 cells at 3 uM after 72 hrs by MTT assay ChEMBL. 25282263
IC50 (binding) = 0.019 uM Modulatory activity at P-gp assessed as doxorubicin IC50 in human K562 cells at 3 uM after 72 hrs by MTT assay (Rvb doxorubicin alone IC50 = 0.023 +/- 0.004 uM) ChEMBL. 25282263
IC50 (binding) = 0.022 uM Modulatory activity at P-gp assessed as doxorubicin IC50 in human K562 cells at 0.1 uM after 72 hrs by MTT assay (Rvb doxorubicin alone IC50 = 0.023 +/- 0.004 uM) ChEMBL. 25282263
IC50 (binding) = 0.041 uM Modulatory activity at P-gp assessed as doxorubicin IC50 in human K562 cells at 1 uM after 72 hrs by MTT assay (Rvb doxorubicin alone IC50 = 0.023 +/- 0.004 uM) ChEMBL. 25282263
IC50 (binding) = 0.063 uM Modulatory activity at P-gp assessed as doxorubicin IC50 in human K562/DOX cells at 3 uM after 72 hrs by MTT assay (Rvb doxorubicin alone IC50 = 2.00 +/- 0.24 uM) ChEMBL. 25282263
IC50 (binding) = 0.23 uM Modulatory activity at P-gp assessed as doxorubicin IC50 in human K562/DOX cells at 1 uM after 72 hrs by MTT assay (Rvb doxorubicin alone IC50 = 2.00 +/- 0.24 uM) ChEMBL. 25282263
IC50 (binding) = 0.83 uM Modulatory activity at P-gp assessed as doxorubicin IC50 in human K562/DOX cells at 0.1 uM after 72 hrs by MTT assay (Rvb doxorubicin alone IC50 = 2.00 +/- 0.24 uM) ChEMBL. 25282263
mortality (binding) = 100 % Modulatory activity at P-gp in doxorubicin-resistant human K562 cells assessed as MDR-reversing activity by measuring doxorubicin-induced cell mortality after 72 hrs by MTT assay relative to untreated control ChEMBL. 25282263

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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