Detailed information for compound 1188205

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 434.574 | Formula: C26H34N4O2
  • H donors: 1 H acceptors: 2 LogP: 3.76 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1cccnc1C(=O)N1CCC2(CC1)CCN(CC2)Cc1cccc2c1OC(C2)(C)C
  • InChi: 1S/C26H34N4O2/c1-25(2)17-19-5-3-6-20(23(19)32-25)18-29-13-8-26(9-14-29)10-15-30(16-11-26)24(31)22-21(27)7-4-12-28-22/h3-7,12H,8-11,13-18,27H2,1-2H3
  • InChiKey: QYNQDAFXODBCAX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens chemokine (C-C motif) receptor 8 Starlite/ChEMBL References
Homo sapiens potassium voltage-gated channel, subfamily H (eag-related), member 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Potassium voltage-gated channel subfamily H member 2, putative Get druggable targets OG5_128858 All targets in OG5_128858
Trichomonas vaginalis voltage and ligand gated potassium channel, putative Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative Get druggable targets OG5_128858 All targets in OG5_128858
Trichomonas vaginalis voltage and ligand gated potassium channel, putative Get druggable targets OG5_128858 All targets in OG5_128858
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128858 All targets in OG5_128858
Loa Loa (eye worm) voltage and ligand gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Echinococcus multilocularis potassium voltage gated channel subfamily H Get druggable targets OG5_128858 All targets in OG5_128858
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog Get druggable targets OG5_128858 All targets in OG5_128858
Echinococcus granulosus potassium voltage gated channel subfamily H Get druggable targets OG5_128858 All targets in OG5_128858
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 phosphoglycerate kinase Pgk 0.017 0.1706 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0086 0.0167
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0547 0.0744
Schistosoma mansoni smad 0.0015 0.002 0.0027
Brugia malayi Latrophilin receptor protein 2 0.0114 0.1101 0.2154
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0547 0.0744
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0086 0.0167
Loa Loa (eye worm) hypothetical protein 0.0021 0.0086 0.0167
Toxoplasma gondii phosphoglycerate kinase PGKII 0.017 0.1706 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0086 0.0167
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0086 0.0167
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0277 0.0377
Entamoeba histolytica phosphoglycerate kinase, putative 0.017 0.1706 1
Echinococcus multilocularis Smad4 0.0033 0.0217 0.0249
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0086 0.0167
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0086 0.0116
Brugia malayi steroid hormone receptor 0.0021 0.0086 0.0167
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0086 0.0167
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0032 0.0211 0.0757
Brugia malayi TAR-binding protein 0.0063 0.0547 0.107
Schistosoma mansoni cellular tumor antigen P53 0.0054 0.0445 0.0606
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.0523 0.2689
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0086 0.0098
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0062 0.0537 0.2777
Onchocerca volvulus 0.003 0.0184 0.068
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0146 0.1447 0.197
Trichomonas vaginalis penicillin-binding protein, putative 0.0146 0.1447 0.5803
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.0088 0.0173
Brugia malayi beta-lactamase 0.0146 0.1447 0.2831
Schistosoma mansoni hypothetical protein 0.0114 0.1101 0.1499
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0088 0.042
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0086 0.0116
Brugia malayi nuclear receptor NHR-88 0.0021 0.0086 0.0167
Trypanosoma brucei phosphoglycerate kinase 0.017 0.1706 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0086 0.0116
Schistosoma mansoni thyroid hormone receptor 0.028 0.2898 0.3946
Echinococcus multilocularis smad 0.0033 0.0217 0.0249
Trypanosoma brucei unspecified product 0.0021 0.0088 0.042
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0114 0.1101 0.1499
Toxoplasma gondii ABC1 family protein 0.0146 0.1447 0.8355
Loa Loa (eye worm) hypothetical protein 0.0039 0.028 0.0548
Loa Loa (eye worm) hypothetical protein 0.0021 0.0086 0.0167
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0088 0.042
Loa Loa (eye worm) beta-lactamase 0.0146 0.1447 0.2831
Loa Loa (eye worm) MH2 domain-containing protein 0.0483 0.511 1
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0259 0.2673 0.3638
Brugia malayi Calcitonin receptor-like protein seb-1 0.0361 0.3782 0.7401
Entamoeba histolytica hypothetical protein 0.0038 0.0277 0.1165
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0032 0.0211 0.0757
Treponema pallidum phosphoglycerate kinase 0.017 0.1706 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0184 0.025
Loa Loa (eye worm) hypothetical protein 0.0021 0.0086 0.0167
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0131 0.0264
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0086 0.0116
Echinococcus granulosus beta LACTamase domain containing family member 0.0146 0.1447 0.197
Onchocerca volvulus 0.0054 0.0445 0.1767
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0062 0.0537 0.2777
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.0088 0.0101
Brugia malayi MH2 domain containing protein 0.0033 0.0217 0.0426
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0088 0.042
Schistosoma mansoni DNA polymerase eta 0.0021 0.0088 0.012
Loa Loa (eye worm) MH1 domain-containing protein 0.0033 0.0217 0.0426
Brugia malayi MH2 domain containing protein 0.0033 0.0217 0.0426
Trichomonas vaginalis phosphoglycerate kinase, putative 0.017 0.1706 0.691
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0208 0.2117 0.4143
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0032 0.0211 0.1146
Onchocerca volvulus Bile acid receptor homolog 0.0021 0.0086 0.0274
Echinococcus granulosus GPCR family 2 0.0114 0.1101 0.1499
Schistosoma mansoni Smad4 0.0015 0.002 0.0027
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0045 0.0344 0.0673
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0086 0.0167
Leishmania major hypothetical protein, conserved 0.0146 0.1447 0.8398
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0088 0.042
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0131 0.0264
Loa Loa (eye worm) hypothetical protein 0.0146 0.1447 0.2831
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0062 0.0537 0.2777
Onchocerca volvulus 0.0146 0.1447 0.5923
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0086 0.0116
Plasmodium vivax hypothetical protein, conserved 0.0146 0.1447 0.8355
Brugia malayi beta-lactamase family protein 0.0146 0.1447 0.2831
Echinococcus granulosus mothers against decapentaplegic 5 0.0033 0.0217 0.0296
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0547 0.0627
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0184 0.025
Schistosoma mansoni hypothetical protein 0.0114 0.1101 0.1499
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.0523 0.0439
Brugia malayi MH1 domain containing protein 0.0018 0.0058 0.0113
Loa Loa (eye worm) hypothetical protein 0.0025 0.0131 0.0256
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0114 0.1101 0.1499
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0547 0.0744
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0088 0.042
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0086 0.0116
Mycobacterium ulcerans lipase LipD 0.0146 0.1447 0.8398
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0146 0.1447 0.1371
Echinococcus granulosus tumor protein p63 0.0368 0.3861 0.5256
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0045 0.0344 0.0394
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.0312 0.0956
Loa Loa (eye worm) MH1 domain-containing protein 0.0015 0.002 0.0038
Plasmodium vivax SET domain protein, putative 0.003 0.0184 0.0334
Loa Loa (eye worm) hypothetical protein 0.0021 0.0086 0.0167
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0086 0.0167
Schistosoma mansoni rotamase 0.0033 0.0219 0.0298
Echinococcus granulosus dna polymerase eta 0.0021 0.0088 0.012
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0523 0.2689
Brugia malayi Smad1 0.0033 0.0217 0.0426
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.0086 0.0116
Trypanosoma brucei hypothetical protein, conserved 0.0146 0.1447 0.8465
Trypanosoma cruzi hypothetical protein, conserved 0.0146 0.1447 0.8398
Trichomonas vaginalis penicillin-binding protein, putative 0.0146 0.1447 0.5803
Trypanosoma brucei phosphoglycerate kinase 0.017 0.1706 1
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0088 0.042
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0086 0.0098
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0088 0.042
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0086 0.0116
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0086 0.0167
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0361 0.3782 0.7401
Echinococcus granulosus phosphoglycerate kinase 1 0.017 0.1706 0.2322
Schistosoma mansoni hypothetical protein 0.0247 0.2541 0.3459
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0086 0.0116
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0547 0.0744
Schistosoma mansoni hypothetical protein 0.0114 0.1101 0.1499
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0361 0.3782 0.7401
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0032 0.0211 0.0757
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.0523 0.06
Giardia lamblia Phosphoglycerate kinase 0.017 0.1706 1
Loa Loa (eye worm) hypothetical protein 0.0146 0.1447 0.2831
Echinococcus multilocularis mothers against decapentaplegic 2 0.0015 0.002 0.0022
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0088 0.0173
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0086 0.0167
Echinococcus multilocularis dna polymerase eta 0.0021 0.0088 0.0101
Onchocerca volvulus 0.0236 0.2429 1
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0086 0.0167
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0088 0.042
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0045 0.0344 0.0468
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0021 0.0086 0.0274
Loa Loa (eye worm) MH2 domain-containing protein 0.0015 0.002 0.0038
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0184 0.025
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0086 0.0167
Mycobacterium tuberculosis Probable phosphoglycerate kinase Pgk 0.017 0.1706 0.1632
Trichomonas vaginalis D-aminoacylase, putative 0.0146 0.1447 0.5803
Loa Loa (eye worm) MH2 domain-containing protein 0.0033 0.0217 0.0426
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0523 0.2689
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0184 0.0334
Loa Loa (eye worm) hypothetical protein 0.0021 0.0086 0.0167
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0259 0.2673 0.3065
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0086 0.0167
Mycobacterium ulcerans hypothetical protein 0.0146 0.1447 0.8398
Trichomonas vaginalis D-aminoacylase, putative 0.0146 0.1447 0.5803
Echinococcus granulosus microtubule associated protein 2 0.0689 0.7346 1
Leishmania major hypothetical protein, conserved 0.0025 0.0131 0.0264
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0184 0.021
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0146 0.1447 0.2831
Loa Loa (eye worm) hypothetical protein 0.0021 0.0086 0.0167
Loa Loa (eye worm) hypothetical protein 0.0114 0.1101 0.2154
Loa Loa (eye worm) Smad1 0.0033 0.0217 0.0426
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0086 0.0116
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0062 0.0537 0.2777
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0523 0.0712
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0086 0.0116
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0086 0.0098
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0086 0.0167
Loa Loa (eye worm) hypothetical protein 0.0015 0.002 0.0038
Toxoplasma gondii peptidylprolyl isomerase 0.0032 0.0211 0.0506
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0815 0.872 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0086 0.0098
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0547 0.107
Schistosoma mansoni hypothetical protein 0.0259 0.2673 0.3638
Brugia malayi MH1 domain containing protein 0.0018 0.0058 0.0113
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0086 0.0098
Brugia malayi RNA binding protein 0.0063 0.0547 0.107
Loa Loa (eye worm) latrophilin receptor protein 2 0.0114 0.1101 0.2154
Trypanosoma cruzi phosphoglycerate kinase, putative 0.017 0.1706 1
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0062 0.0537 0.2777
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0086 0.0167
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0033 0.0219 0.0429
Brugia malayi latrophilin 2 splice variant baaae 0.0247 0.2541 0.4973
Loa Loa (eye worm) hypothetical protein 0.0021 0.0088 0.0173
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0184 0.025
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0086 0.0116
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0114 0.1101 0.2154
Brugia malayi ecdysteroid receptor 0.0021 0.0086 0.0167
Schistosoma mansoni smad1 5 8 and 0.0033 0.0217 0.0296
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0086 0.0167
Trypanosoma cruzi 3-phosphoglycerate kinase, glycosomal 0.0062 0.0537 0.2777
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.0086 0.0116
Trichomonas vaginalis D-aminoacylase, putative 0.0146 0.1447 0.5803
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0146 0.1447 0.197
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0086 0.0167
Loa Loa (eye worm) hypothetical protein 0.0021 0.0086 0.0167
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.0088 0.012
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0033 0.0217 0.0249
Wolbachia endosymbiont of Brugia malayi phosphoglycerate kinase 0.017 0.1706 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0088 0.042
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0033 0.0217 0.0296
Echinococcus granulosus tar DNA binding protein 0.0063 0.0547 0.0744
Chlamydia trachomatis phosphoglycerate kinase 0.017 0.1706 0.5
Echinococcus granulosus smad 0.0033 0.0217 0.0296
Brugia malayi MH1 domain containing protein 0.0033 0.0217 0.0426
Echinococcus granulosus dna polymerase kappa 0.0021 0.0088 0.012
Entamoeba histolytica hypothetical protein 0.0038 0.0277 0.1165
Trichomonas vaginalis rotamase, putative 0.0033 0.0219 0.056
Schistosoma mansoni Smad4 0.0033 0.0217 0.0296
Mycobacterium tuberculosis Conserved protein 0.0146 0.1447 0.1371
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0146 0.1447 0.2831
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0219 0.056
Echinococcus granulosus TGF beta signal transducer SmadC 0.0033 0.0217 0.0296
Schistosoma mansoni Smad4 0.0015 0.002 0.0027
Echinococcus granulosus Smad4 0.0033 0.0217 0.0296
Echinococcus multilocularis microtubule associated protein 2 0.0689 0.7346 0.8424
Trypanosoma brucei phosphoglycerate kinase 0.0062 0.0537 0.308
Echinococcus multilocularis phosphoglycerate kinase 1 0.017 0.1706 0.1956
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0547 0.107
Trypanosoma cruzi phosphoglycerate kinase, putative 0.017 0.1706 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0114 0.1101 0.1262
Brugia malayi hypothetical protein 0.0025 0.0131 0.0256
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0086 0.0167
Brugia malayi MH2 domain containing protein 0.0015 0.002 0.0038
Onchocerca volvulus 0.0146 0.1447 0.5923
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0088 0.042
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0088 0.042
Brugia malayi Phosphoglycerate kinase 0.0062 0.0537 0.1052
Mycobacterium tuberculosis Probable esterase LipL 0.0146 0.1447 0.1371
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.0088 0.012
Loa Loa (eye worm) hypothetical protein 0.0146 0.1447 0.2831
Mycobacterium tuberculosis Conserved protein 0.0146 0.1447 0.1371
Toxoplasma gondii phosphoglycerate kinase PGKI 0.017 0.1706 1
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0088 0.0173
Trypanosoma brucei phosphoglycerate kinase, putative 0.0062 0.0537 0.308
Loa Loa (eye worm) RNA binding protein 0.0063 0.0547 0.107
Onchocerca volvulus 0.0146 0.1447 0.5923
Mycobacterium tuberculosis Conserved protein 0.0146 0.1447 0.1371
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0114 0.1101 0.1262
Loa Loa (eye worm) nuclear factor I 0.0018 0.0058 0.0113
Schistosoma mansoni coup transcription factor 0.0021 0.0086 0.0116
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.0388 0.0529
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0277 0.0317
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0086 0.0116
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0277 0.0377
Trichomonas vaginalis set domain proteins, putative 0.0236 0.2429 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0086 0.0167
Brugia malayi hypothetical protein 0.0038 0.0277 0.0541
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0146 0.1447 0.8398
Schistosoma mansoni smad1 5 8 and 0.0033 0.0217 0.0296
Mycobacterium ulcerans phosphoglycerate kinase 0.017 0.1706 1
Loa Loa (eye worm) hypothetical protein 0.0361 0.3782 0.7401
Echinococcus multilocularis thyroid hormone receptor alpha 0.028 0.2898 0.3324
Loa Loa (eye worm) hypothetical protein 0.0021 0.0086 0.0167
Schistosoma mansoni smad 0.0033 0.0217 0.0296
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0086 0.0167
Onchocerca volvulus Protein ultraspiracle homolog 0.0021 0.0086 0.0274
Brugia malayi MH2 domain containing protein 0.0483 0.511 1
Mycobacterium tuberculosis Probable hydrolase 0.0146 0.1447 0.1371
Brugia malayi MH1 domain containing protein 0.0033 0.0217 0.0426
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0523 0.0712
Leishmania major phosphoglycerate kinase B, cytosolic 0.017 0.1706 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0032 0.0211 0.0757
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.0523 0.0712
Plasmodium falciparum phosphoglycerate kinase 0.017 0.1706 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0086 0.0116
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0086 0.0167
Mycobacterium ulcerans esterase/lipase LipP 0.0146 0.1447 0.8398
Brugia malayi Phosphoglycerate kinase 0.017 0.1706 0.3338
Onchocerca volvulus 0.0021 0.0086 0.0274
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0045 0.0344 0.0673
Echinococcus granulosus mothers against decapentaplegic 6 0.0015 0.002 0.0027
Echinococcus multilocularis beta LACTamase domain containing family member 0.0146 0.1447 0.1659
Schistosoma mansoni hypothetical protein 0.0114 0.1101 0.1499
Trichomonas vaginalis rotamase, putative 0.0032 0.0211 0.0523
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0086 0.0098
Echinococcus multilocularis expressed protein 0.0033 0.0219 0.0251
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0523 0.2689
Mycobacterium ulcerans beta-lactamase 0.0146 0.1447 0.8398
Entamoeba histolytica hypothetical protein 0.0038 0.0277 0.1165
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0086 0.0116
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0088 0.042
Brugia malayi hypothetical protein 0.0016 0.0035 0.0068
Loa Loa (eye worm) hypothetical protein 0.0146 0.1447 0.2831
Echinococcus multilocularis mothers against decapentaplegic 5 0.0033 0.0217 0.0249
Echinococcus multilocularis mothers against decapentaplegic 6 0.0015 0.002 0.0022
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0547 0.0744
Loa Loa (eye worm) hypothetical protein 0.017 0.1706 0.3338
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0086 0.0116
Leishmania major phosphoglycerate kinase C, glycosomal 0.017 0.1706 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0058 0.0113
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0088 0.042
Trypanosoma brucei DNA polymerase eta, putative 0.0021 0.0088 0.042
Trypanosoma cruzi hypothetical protein, conserved 0.0146 0.1447 0.8398
Brugia malayi beta-lactamase family protein 0.0146 0.1447 0.2831
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.0088 0.012
Schistosoma mansoni phosphoglycerate kinase 0.017 0.1706 0.2322
Trichomonas vaginalis esterase, putative 0.0146 0.1447 0.5803
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0172 0.0234
Schistosoma mansoni microtubule-associated protein tau 0.0689 0.7346 1
Brugia malayi nuclear hormone receptor 0.0021 0.0086 0.0167
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0146 0.1447 0.1371
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0086 0.0167
Mycobacterium tuberculosis Probable lipase LipD 0.0146 0.1447 0.1371
Echinococcus granulosus mothers against decapentaplegic 2 0.0015 0.002 0.0027
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0086 0.0098
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.0312 0.0956
Loa Loa (eye worm) hypothetical protein 0.0146 0.1447 0.2831
Brugia malayi Pre-SET motif family protein 0.003 0.0184 0.0359
Schistosoma mansoni smad1 5 8 and 0.0033 0.0217 0.0296
Mycobacterium tuberculosis Probable lipase LipE 0.0146 0.1447 0.1371
Echinococcus multilocularis tumor protein p63 0.0368 0.3861 0.4427
Entamoeba histolytica hypothetical protein 0.0038 0.0277 0.1165
Brugia malayi Pre-SET motif family protein 0.0208 0.2117 0.4143
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0086 0.0167
Plasmodium vivax phosphoglycerate kinase, putative 0.017 0.1706 1
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0131 0.0673
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0086 0.0098
Schistosoma mansoni phosphoglycerate kinase 0.017 0.1706 0.2322
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0547 0.107
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0184 0.021
Loa Loa (eye worm) hypothetical protein 0.0054 0.0445 0.0871
Echinococcus multilocularis dna polymerase kappa 0.0021 0.0088 0.0101
Schistosoma mansoni thyroid hormone receptor 0.028 0.2898 0.3946
Echinococcus multilocularis GPCR, family 2 0.0114 0.1101 0.1262
Echinococcus granulosus expressed protein 0.0033 0.0219 0.0298
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.0523 0.249
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0033 0.0219 0.0429
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0184 0.025
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0146 0.1447 0.1371
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0086 0.0167
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0086 0.0116
Loa Loa (eye worm) hypothetical protein 0.0146 0.1447 0.2831
Loa Loa (eye worm) hypothetical protein 0.0247 0.2541 0.4973
Loa Loa (eye worm) transcription factor SMAD2 0.0483 0.511 1
Brugia malayi mothers against decapentaplegic homolog 3 0.0015 0.002 0.0038
Loa Loa (eye worm) hypothetical protein 0.003 0.0184 0.0359
Trichomonas vaginalis phosphoglycerate kinase, putative 0.017 0.1706 0.691
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.0388 0.0529
Schistosoma mansoni hypothetical protein 0.0038 0.0277 0.0377
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0086 0.0116

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 4.49 Displacement of [3H]dofetilide from human recombinant ERG expressed in HEK293 cells by patch clamp method ChEMBL. 19954248
IC50 (binding) = 5.38 Inhibition of wild type human ERG expressed in CHOK1 cells by whole-cell plate-based electrophysiology ChEMBL. 19954248
IC50 (functional) = 7.65 Antagonist activity at human CCR8 ChEMBL. 19954248

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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