Detailed information for compound 509301

Basic information

Technical information
  • TDR Targets ID: 509301
  • Name: 1-(3,4-dichlorophenyl)-3-(3,5-dichlorophenyl) urea
  • MW: 350.027 | Formula: C13H8Cl4N2O
  • H donors: 2 H acceptors: 1 LogP: 5 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cc(Cl)cc(c1)Cl)Nc1ccc(c(c1)Cl)Cl
  • InChi: 1S/C13H8Cl4N2O/c14-7-3-8(15)5-10(4-7)19-13(20)18-9-1-2-11(16)12(17)6-9/h1-6H,(H2,18,19,20)
  • InChiKey: IMDDDJBDFZQNJH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(3,4-dichlorophenyl)-1-(3,5-dichlorophenyl)urea
  • CBMicro_019879
  • BIM-0020045.P001
  • ZINC00639843

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens purinergic receptor P2Y, G-protein coupled, 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus pyroglutamylated rfamide peptide receptor purinergic receptor P2Y, G-protein coupled, 1 373 aa 393 aa 17.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0014 0.0185 0.0278
Entamoeba histolytica protein kinase, putative 0.0032 0.0597 0.8438
Trypanosoma brucei glucose transporter, putative 0.0033 0.0606 0.7855
Loa Loa (eye worm) hypothetical protein 0.0015 0.0201 0.0303
Echinococcus multilocularis neuroligin 0.0012 0.0127 0.0191
Trypanosoma brucei glucose transporter, putative 0.0033 0.0606 0.7855
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.0551 0.7146
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0037 0.0707 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0014 0.0185 0.0278
Brugia malayi Major Facilitator Superfamily protein 0.0015 0.0201 0.0389
Trypanosoma brucei glucose transporter, putative 0.0033 0.0606 0.7855
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0032 0.0582 0.0874
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0012 0.0127 0.3853
Brugia malayi ImpB/MucB/SamB family protein 0.0014 0.0185 0.0357
Brugia malayi Carboxylesterase family protein 0.0012 0.0127 0.0246
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0334 0.4327
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0606 0.269
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0024 0.0399 0.6849
Loa Loa (eye worm) hypothetical protein 0.0015 0.0201 0.0303
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0032 0.0582 0.0874
Schistosoma mansoni gliotactin 0.0012 0.0127 0.0191
Echinococcus multilocularis synaptic vesicle 2 protein 0.0015 0.0201 0.0303
Entamoeba histolytica Ran family GTPase 0.0021 0.0334 0.472
Plasmodium vivax calcium-dependent protein kinase, putative 0.0032 0.0597 0.0597
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0069 0.1414 0.2125
Trypanosoma cruzi hexose transporter, putative 0.0018 0.027 0.3505
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0772 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0153 0.023
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Onchocerca volvulus 0.0015 0.0201 0.0147
Loa Loa (eye worm) hypothetical protein 0.0032 0.0582 0.0874
Loa Loa (eye worm) carboxylesterase 0.0012 0.0127 0.0191
Trypanosoma brucei THT1 - hexose transporter, putative 0.0033 0.0606 0.7855
Brugia malayi Carboxylesterase family protein 0.0012 0.0127 0.0246
Brugia malayi hypothetical protein 0.0015 0.0201 0.0389
Toxoplasma gondii lysine-tRNA ligase 0.0024 0.0399 0.0603
Echinococcus granulosus lamin dm0 0.0026 0.0461 0.0692
Trichomonas vaginalis sugar transport protein, putative 0.0015 0.0201 0.0894
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0502 0.6503
Mycobacterium tuberculosis Carboxylesterase LipT 0.0012 0.0127 0.3853
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0012 0.0127 0.0191
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0032 0.0597 0.0896
Leishmania major importin beta-1 subunit, putative 0.0023 0.0382 0.5394
Loa Loa (eye worm) hypothetical protein 0.0032 0.0582 0.0874
Loa Loa (eye worm) hypothetical protein 0.0026 0.045 0.0676
Trichomonas vaginalis glucose transporter, putative 0.0033 0.0606 0.269
Echinococcus multilocularis solute carrier family 22 0.0015 0.0201 0.0303
Mycobacterium tuberculosis Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter) 0.0015 0.0201 0.6092
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0014 0.0185 0.0278
Leishmania major GTP-binding protein, putative 0.0021 0.0334 0.472
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0032 0.0582 0.1124
Schistosoma mansoni hypothetical protein 0.0166 0.3604 0.5414
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0037 0.0707 0.3139
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0037 0.0707 0.1367
Leishmania major DNA polymerase kappa, putative 0.0021 0.0331 0.4674
Onchocerca volvulus 0.0015 0.0201 0.0147
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0014 0.0185 0.0278
Brugia malayi Carboxylesterase family protein 0.0012 0.0127 0.0246
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0334 0.0502
Loa Loa (eye worm) hypothetical protein 0.0069 0.1414 0.2125
Trypanosoma cruzi hexose transporter, putative 0.0033 0.0606 0.7855
Onchocerca volvulus 0.0026 0.0461 0.066
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0461 0.0692
Echinococcus multilocularis dna polymerase kappa 0.004 0.0772 0.1159
Echinococcus multilocularis lamin dm0 0.0026 0.0461 0.0692
Echinococcus granulosus dna polymerase kappa 0.004 0.0772 0.1159
Trypanosoma cruzi hexose transporter 0.0033 0.0606 0.7855
Brugia malayi major facilitator superfamily protein 0.0015 0.0201 0.0389
Mycobacterium ulcerans sugar transporter 0.0015 0.0201 0.261
Trypanosoma brucei glucose transporter, putative 0.0033 0.0606 0.7855
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Toxoplasma gondii sugar transporter ST3 0.0015 0.0201 0.0305
Onchocerca volvulus 0.0015 0.0201 0.0147
Trypanosoma brucei unspecified product 0.001 0.0086 0.1113
Leishmania major glucose transporter, lmgt3 0.0033 0.0606 0.857
Loa Loa (eye worm) major facilitator superfamily transporter 0.0015 0.0201 0.0303
Chlamydia trachomatis lysine--tRNA ligase 0.0024 0.0399 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0106 0.2253 0.3385
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0153 0.023
Loa Loa (eye worm) hypothetical protein 0.0015 0.0201 0.0303
Plasmodium vivax lysine--tRNA ligase, putative 0.0024 0.0399 0.0399
Onchocerca volvulus 0.0015 0.0201 0.0147
Loa Loa (eye worm) hypothetical protein 0.0015 0.0201 0.0303
Loa Loa (eye worm) hypothetical protein 0.003 0.0551 0.0828
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0772 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0127 0.0191
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.0331 0.4674
Mycobacterium ulcerans DNA polymerase IV 0.004 0.0772 1
Mycobacterium leprae Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.002 0.0318 0.5469
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.002 0.0318 0.9629
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0334 0.0502
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0032 0.0597 0.0896
Onchocerca volvulus 0.0015 0.0201 0.0147
Echinococcus granulosus calcium dependent protein kinase 0.003 0.0552 0.0829
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0032 0.0582 0.1124
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0032 0.0582 1
Plasmodium vivax sugar transporter, putative 0.0015 0.0201 0.0201
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0231 0.2999
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0032 0.0597 0.0896
Trichomonas vaginalis CAMK family protein kinase 0.0032 0.0597 0.2648
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0037 0.0701 0.908
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0382 0.1693
Mycobacterium tuberculosis Probable DNA polymerase IV DinX (pol IV 1) (DNA nucleotidyltransferase (DNA-directed)) 0.0006 0.0011 0.034
Schistosoma mansoni lysyl-tRNA synthetase 0.0024 0.0399 0.0599
Echinococcus granulosus importin subunit beta 1 0.0028 0.0502 0.0754
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.004 0.0772 0.3425
Trypanosoma brucei THT1 - hexose transporter, putative 0.0033 0.0606 0.7855
Plasmodium falciparum major facilitator superfamily domain-containing protein, putative 0.0015 0.0201 0.0201
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0772 1
Echinococcus granulosus carboxylesterase 5A 0.0069 0.1414 0.2125
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Schistosoma mansoni hypothetical protein 0.0106 0.2253 0.3385
Trypanosoma cruzi sugar transporter, putative 0.0015 0.0201 0.261
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0597 0.0896
Brugia malayi Carboxylesterase family protein 0.0069 0.1414 0.2733
Leishmania major glucose transporter, lmgt1 0.0033 0.0606 0.857
Trypanosoma brucei myo-inositol/proton symporter (MIT) 0.0015 0.0201 0.261
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0106 0.2253 0.3385
Onchocerca volvulus 0.0015 0.0201 0.0147
Echinococcus multilocularis solute carrier family 22 0.0015 0.0201 0.0303
Onchocerca volvulus 0.0015 0.0201 0.0147
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0106 0.2253 0.3385
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Brugia malayi Sugar transporter family protein 0.0015 0.0201 0.0389
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Schistosoma mansoni importin beta-1 0.0028 0.0502 0.0754
Echinococcus granulosus neuroligin 0.0012 0.0127 0.0191
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0334 0.4327
Trichomonas vaginalis sugar transporter, putative 0.0033 0.0606 0.269
Trypanosoma brucei glucose transporter, putative 0.0033 0.0606 0.7855
Loa Loa (eye worm) hypothetical protein 0.0015 0.0201 0.0303
Loa Loa (eye worm) bifunctional aminoacyl-tRNA synthetase 0.0013 0.016 0.024
Giardia lamblia DINP protein human, muc B family 0.0021 0.0331 0.568
Echinococcus multilocularis calcium dependent protein kinase 0.003 0.0552 0.0829
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0231 0.2999
Toxoplasma gondii protein kinase, putative 0.0299 0.6612 1
Echinococcus granulosus acetylcholinesterase 0.0069 0.1414 0.2125
Schistosoma mansoni sugar transporter 0.0015 0.0201 0.0303
Schistosoma mansoni sugar transporter 0.0015 0.0201 0.0303
Trypanosoma brucei glucose transporter, putative 0.0033 0.0606 0.7855
Trichomonas vaginalis glucose transporter, putative 0.0033 0.0606 0.269
Trichomonas vaginalis sugar transporter, putative 0.0033 0.0606 0.269
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Trypanosoma brucei unspecified product 0.0034 0.0626 0.8114
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0012 0.0127 0.0565
Brugia malayi major facilitator superfamily protein 0.0015 0.0201 0.0389
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0011 0.011 0.0167
Leishmania major glucose transporter, lmgt2 0.0033 0.0606 0.857
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0037 0.0707 0.9166
Trypanosoma brucei glucose transporter 2A 0.0033 0.0606 0.7855
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0772 1
Brugia malayi Sugar transporter family protein 0.0106 0.2253 0.4354
Echinococcus granulosus solute carrier family 22 0.0015 0.0201 0.0303
Schistosoma mansoni protein kinase 0.0032 0.0597 0.0896
Loa Loa (eye worm) hypothetical protein 0.0012 0.0142 0.0213
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0021 0.0333 0.1477
Plasmodium vivax importin-beta 2, putative 0.0028 0.0502 0.0502
Onchocerca volvulus 0.0015 0.0201 0.0147
Echinococcus multilocularis lysyl tRNA synthetase 0.0024 0.0399 0.0599
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Schistosoma mansoni glucose transport protein 0.0106 0.2253 0.3385
Plasmodium vivax proline--tRNA ligase, putative 0.0037 0.0701 0.0701
Brugia malayi hypothetical protein 0.0015 0.0201 0.0389
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0153 0.023
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0037 0.0707 1
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0772 1
Toxoplasma gondii transporter, major facilitator family protein 0.0015 0.0201 0.0305
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0106 0.2253 0.3385
Schistosoma mansoni sugar transporter 0.0015 0.0201 0.0303
Echinococcus multilocularis dna polymerase eta 0.0014 0.0185 0.0278
Echinococcus granulosus solute carrier family 22 0.0015 0.0201 0.0303
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0772 1
Trichomonas vaginalis sugar transporter, putative 0.0033 0.0606 0.269
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0171 0.3724 0.3724
Trypanosoma brucei DNA polymerase eta, putative 0.0014 0.0185 0.2397
Schistosoma mansoni ran 0.0021 0.0334 0.0502
Schistosoma mansoni protein kinase 0.0032 0.0597 0.0896
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.0201 0.0894
Trichomonas vaginalis conserved hypothetical protein 0.0106 0.2253 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0382 0.4944
Onchocerca volvulus 0.0015 0.0201 0.0147
Brugia malayi Major Facilitator Superfamily protein 0.0015 0.0201 0.0389
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.0015 0.0201 0.261
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0502 0.0754
Trichomonas vaginalis spcc417.12 protein, putative 0.0012 0.0127 0.0565
Brugia malayi Carboxylesterase family protein 0.0069 0.1414 0.2733
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0772 1
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.0015 0.0201 0.261
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0106 0.2253 0.3385
Brugia malayi Pax transcription factor protein 2 0.0236 0.5176 1
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0015 0.0201 1
Echinococcus multilocularis General substrate transporter 0.0091 0.1918 0.2881
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0231 0.2999
Echinococcus multilocularis musashi 0.0026 0.0461 0.0692
Toxoplasma gondii sugar transporter ST1 0.0015 0.0201 0.0305
Loa Loa (eye worm) hypothetical protein 0.0015 0.0201 0.0303
Echinococcus granulosus solute carrier family 22 0.0015 0.0201 0.0303
Onchocerca volvulus 0.0236 0.5176 1
Schistosoma mansoni hypothetical protein 0.0301 0.6657 1
Trypanosoma brucei ULK family serine/threonine-protein kinase, putative 0.0007 0.0032 0.041
Echinococcus granulosus acetylcholinesterase 0.0069 0.1414 0.2125
Schistosoma mansoni neuroligin 3 (S09 family) 0.0012 0.0127 0.0191
Mycobacterium ulcerans DNA polymerase IV 0.004 0.0772 1
Loa Loa (eye worm) carboxylesterase 0.0069 0.1414 0.2125
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Echinococcus granulosus lamin 0.0026 0.0461 0.0692
Schistosoma mansoni lamin 0.0026 0.0461 0.0692
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.0201 0.0894
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0012 0.0127 0.0191
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0012 0.0127 0.0191
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0772 1
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0037 0.0707 0.0707
Echinococcus granulosus geminin 0.0166 0.3604 0.5414
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0597 0.0896
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0382 0.1693
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0334 0.0645
Trypanosoma cruzi hexose transporter, putative 0.0033 0.0606 0.7855
Loa Loa (eye worm) hypothetical protein 0.0015 0.0201 0.0303
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0037 0.0707 0.3139
Entamoeba histolytica hypothetical protein 0.0024 0.0399 0.5636
Plasmodium falciparum calcium-dependent protein kinase 4 0.0032 0.0597 0.0597
Trypanosoma cruzi DNA polymerase eta, putative 0.0014 0.0185 0.2397
Leishmania major DNA polymerase eta, putative 0.0014 0.0185 0.2616
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0032 0.0597 0.0896
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0382 0.1693
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0461 0.089
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0772 1
Schistosoma mansoni hypothetical protein 0.0166 0.3604 0.5414
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0012 0.0127 0.3853
Giardia lamblia Prolyl-tRNA synthetase 0.0032 0.0582 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.0331 1
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Brugia malayi ImpB/MucB/SamB family protein 0.0014 0.0185 0.0357
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0597 0.0896
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0772 1
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Trypanosoma brucei DNA polymerase IV, putative 0.0034 0.0626 0.8114
Brugia malayi Carboxylesterase family protein 0.0012 0.0127 0.0246
Trypanosoma brucei THT1 - hexose transporter, putative 0.0033 0.0606 0.7855
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0037 0.0701 0.908
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0037 0.0707 0.9166
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.0551 0.7146
Echinococcus multilocularis solute carrier family 22 0.0015 0.0201 0.0303
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0014 0.0185 0.0278
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0037 0.0701 0.106
Giardia lamblia Lysyl-tRNA synthetase 0.0024 0.0399 0.6849
Echinococcus granulosus para nitrobenzyl esterase 0.0012 0.0127 0.0191
Loa Loa (eye worm) carboxylesterase 0.0012 0.0127 0.0191
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0106 0.2253 0.3385
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0012 0.0127 0.0191
Schistosoma mansoni serine/threonine protein kinase 0.0032 0.0597 0.0896
Loa Loa (eye worm) hypothetical protein 0.0028 0.0502 0.0754
Loa Loa (eye worm) hypothetical protein 0.0012 0.0127 0.0191
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0037 0.0707 0.0707
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0032 0.0597 0.0903
Brugia malayi hypothetical protein 0.0015 0.0201 0.0389
Schistosoma mansoni ran 0.0021 0.0334 0.0502
Leishmania major lysyl-tRNA synthetase, putative 0.0024 0.0399 0.5636
Plasmodium vivax hexose transporter 0.0106 0.2253 0.2253
Loa Loa (eye worm) hypothetical protein 0.0015 0.0201 0.0303
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Echinococcus multilocularis lamin 0.0026 0.0461 0.0692
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0037 0.0707 0.1062
Mycobacterium ulcerans integral membrane transport protein 0.0015 0.0201 0.261
Leishmania major glucose transporter/membrane transporter D2, putative 0.0033 0.0606 0.857
Loa Loa (eye worm) hypothetical protein 0.0026 0.0461 0.0692
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0334 0.0334
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0032 0.0597 0.0896
Schistosoma mansoni DNA polymerase eta 0.0014 0.0185 0.0278
Brugia malayi hypothetical protein 0.0012 0.0127 0.0246
Chlamydia trachomatis proline--tRNA ligase 0.0011 0.0119 0.2978
Echinococcus granulosus synaptic vesicle 2 protein 0.0015 0.0201 0.0303
Echinococcus granulosus Sugar transporter ERD6 protein 0.0015 0.0201 0.0303
Echinococcus multilocularis carboxylesterase 5A 0.0069 0.1414 0.2125
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0032 0.0597 0.0597
Echinococcus multilocularis Sugar transporter ERD6 protein 0.0015 0.0201 0.0303
Loa Loa (eye worm) acetylcholinesterase 1 0.0069 0.1414 0.2125
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Trichomonas vaginalis DNA polymerase eta, putative 0.004 0.0772 0.3425
Brugia malayi Importin beta-1 subunit 0.0028 0.0502 0.097
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0597 0.0896
Loa Loa (eye worm) hypothetical protein 0.0026 0.0448 0.0672
Loa Loa (eye worm) major facilitator superfamily transporter 0.0015 0.0201 0.0303
Loa Loa (eye worm) hypothetical protein 0.0012 0.0127 0.0191
Trypanosoma brucei glucose transporter, putative 0.0033 0.0606 0.7855
Schistosoma mansoni acetylcholinesterase 0.0012 0.0127 0.0191
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0772 1
Echinococcus granulosus BC026374 protein S09 family 0.0012 0.0127 0.0191
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0024 0.0399 0.1769
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0461 0.0692
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0032 0.0597 0.0597
Echinococcus granulosus dna polymerase eta 0.0014 0.0185 0.0278
Trypanosoma cruzi hexose transporter, putative 0.0015 0.0201 0.261
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0037 0.0701 0.9906
Trypanosoma brucei glucose transporter 1E 0.0033 0.0606 0.7855
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Brugia malayi intermediate filament protein 0.0026 0.0461 0.089
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0772 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0106 0.2253 0.3385
Onchocerca volvulus 0.0015 0.0201 0.0147
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0334 0.0502
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0012 0.0127 0.0191
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0334 0.4327
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0171 0.3724 0.5632
Loa Loa (eye worm) sugar transporter 0.0106 0.2253 0.3385
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0024 0.0399 0.5166
Mycobacterium tuberculosis Conserved hypothetical protein 0.0014 0.0185 0.5597
Echinococcus granulosus lysyl tRNA synthetase 0.0024 0.0399 0.0599
Brugia malayi polk-prov protein 0.003 0.0551 0.1065
Plasmodium vivax CDK-related protein kinase 6, putative 0.045 1 1
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Treponema pallidum prolyl-tRNA synthetase 0.0011 0.0119 1
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0032 0.0582 0.8228
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0606 0.269
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Plasmodium falciparum mitogen-activated protein kinase 2 0.0171 0.3724 0.3724
Echinococcus granulosus solute carrier family 22 0.0015 0.0201 0.0303
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0331 0.4284
Mycobacterium ulcerans prolyl-tRNA synthetase 0.0011 0.0119 0.1538
Loa Loa (eye worm) hypothetical protein 0.0015 0.0201 0.0303
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0334 0.5737
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0024 0.0399 0.5166
Loa Loa (eye worm) hypothetical protein 0.0015 0.0201 0.0303
Trypanosoma brucei unspecified product 0.001 0.0086 0.1113
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Schistosoma mansoni lysyl-tRNA synthetase 0.0024 0.0399 0.0599
Plasmodium falciparum protein kinase 7 0.0299 0.6612 0.6612
Entamoeba histolytica protein kinase, putative 0.0032 0.0597 0.8438
Loa Loa (eye worm) hypothetical protein 0.0012 0.0127 0.0191
Entamoeba histolytica hypothetical protein 0.0023 0.0382 0.5394
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0184 0.0277
Plasmodium falciparum lysine--tRNA ligase 0.0024 0.0399 0.0399
Giardia lamblia Sugar-proton symporter 0.0015 0.0201 0.346
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Trichomonas vaginalis myo-inositol transporter, putative 0.0015 0.0201 0.0894
Loa Loa (eye worm) sugar transporter 0.0015 0.0201 0.0303
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0032 0.0597 0.7734
Plasmodium falciparum calcium-dependent protein kinase 3 0.0032 0.0597 0.0597
Echinococcus granulosus intermediate filament protein 0.0026 0.0461 0.0692
Loa Loa (eye worm) hypothetical protein 0.0012 0.0142 0.0213
Loa Loa (eye worm) hypothetical protein 0.0015 0.0201 0.0303
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0502 0.6503
Echinococcus multilocularis geminin 0.0166 0.3604 0.5414
Onchocerca volvulus Putative transporter 0.0015 0.0201 0.0147
Trichomonas vaginalis ran, putative 0.0021 0.0334 0.1482
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0032 0.0597 0.0903
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0037 0.0707 0.1367
Mycobacterium tuberculosis Probable conserved integral membrane transport protein 0.0015 0.0201 0.6092
Onchocerca volvulus 0.0015 0.0201 0.0147
Loa Loa (eye worm) hypothetical protein 0.0015 0.0201 0.0303
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0037 0.0707 0.1062
Schistosoma mansoni glucose transporter 0.0015 0.0201 0.0303
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0037 0.0707 0.1062
Loa Loa (eye worm) hypothetical protein 0.0014 0.0185 0.0278
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0772 1
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0334 0.0505
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Loa Loa (eye worm) hypothetical protein 0.0069 0.1414 0.2125
Echinococcus multilocularis acetylcholinesterase 0.0069 0.1414 0.2125
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0037 0.0701 0.9906
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0024 0.0399 0.5166
Trichomonas vaginalis glucose transporter, putative 0.0015 0.0201 0.0894
Echinococcus multilocularis snurportin 1 0.0301 0.6657 1
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0037 0.0707 0.1062
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Brugia malayi Cam kinase protein 1 0.0032 0.0597 0.1153
Plasmodium falciparum calcium-dependent protein kinase 2 0.0032 0.0597 0.0597
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.002 0.0318 0.9629
Brugia malayi lysyl-tRNA synthetase 0.0024 0.0399 0.077
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0037 0.0701 0.908
Onchocerca volvulus 0.0015 0.0201 0.0147
Onchocerca volvulus 0.0015 0.0201 0.0147
Loa Loa (eye worm) hypothetical protein 0.0012 0.0127 0.0191
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Loa Loa (eye worm) hypothetical protein 0.0032 0.0597 0.0896
Loa Loa (eye worm) hypothetical protein 0.0015 0.0201 0.0303
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.0201 0.0894
Toxoplasma gondii facilitative glucose transporter GT1 0.0106 0.2253 0.3408
Onchocerca volvulus 0.0015 0.0201 0.0147
Schistosoma mansoni protein kinase 0.0032 0.0597 0.0896
Brugia malayi RNA, U transporter 1 0.008 0.1675 0.3236
Echinococcus granulosus General substrate transporter 0.0091 0.1918 0.2881
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0772 1
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Loa Loa (eye worm) hypothetical protein 0.0012 0.0127 0.0191
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0032 0.0597 0.0896
Trypanosoma cruzi hexose transporter, putative 0.0033 0.0606 0.7855
Brugia malayi Sugar transporter family protein 0.0015 0.0201 0.0389
Schistosoma mansoni glucose transport protein 0.0106 0.2253 0.3385
Loa Loa (eye worm) hypothetical protein 0.0015 0.0201 0.0303
Giardia lamblia Hexose transporter 0.0015 0.0201 0.346
Plasmodium falciparum proline--tRNA ligase 0.0037 0.0701 0.0701
Trypanosoma brucei sugar transporter, putative 0.0015 0.0201 0.261
Plasmodium falciparum calcium-dependent protein kinase 1 0.0032 0.0597 0.0597
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0032 0.0582 0.2583
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.0201 0.0894
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0024 0.0399 0.5166
Loa Loa (eye worm) hypothetical protein 0.0012 0.0127 0.0191
Leishmania major hypothetical protein, conserved 0.0015 0.0201 0.2847
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Loa Loa (eye worm) hypothetical protein 0.0024 0.0399 0.0599
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0184 0.0356
Schistosoma mansoni sugar transporter 0.0015 0.0201 0.0303
Plasmodium falciparum calcium-dependent protein kinase 5 0.0032 0.0597 0.0597
Brugia malayi Major Facilitator Superfamily protein 0.0015 0.0201 0.0389
Plasmodium falciparum hexose transporter 0.0106 0.2253 0.2253
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Schistosoma mansoni intermediate filament proteins 0.0026 0.0461 0.0692
Leishmania major myo-inositol/proton symporter (MIT) 0.0015 0.0201 0.2847
Schistosoma mansoni lamin 0.0026 0.0461 0.0692
Trypanosoma brucei glucose transporter, putative 0.0033 0.0606 0.7855
Entamoeba histolytica deoxycytidyl transferase, putative 0.0014 0.0185 0.2616
Schistosoma mansoni BC026374 protein (S09 family) 0.0012 0.0127 0.0191
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0032 0.0582 0.0874
Leishmania major protein kinase, putative 0.0032 0.0597 0.8438
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0502 0.0759
Loa Loa (eye worm) pax transcription factor protein 2 0.0236 0.5176 0.7775
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0032 0.0597 0.1153
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0032 0.0582 0.0874
Trypanosoma cruzi glucose transporter, putative 0.0015 0.0201 0.261
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0106 0.2253 0.3385
Onchocerca volvulus 0.0015 0.0201 0.0147
Plasmodium falciparum importin beta, putative 0.0028 0.0502 0.0502
Echinococcus multilocularis solute carrier family 22 0.0015 0.0201 0.0303
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0301 0.6657 1
Schistosoma mansoni glucose transport protein 0.0106 0.2253 0.3385
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0772 1
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0037 0.0707 0.107
Echinococcus granulosus snurportin 1 0.0301 0.6657 1
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.0201 0.0894
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0037 0.0707 0.9166
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0032 0.0597 0.0597
Mycobacterium ulcerans carboxylesterase, LipT 0.0012 0.0127 0.165
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0334 0.0334
Onchocerca volvulus 0.0026 0.0461 0.066
Echinococcus multilocularis para nitrobenzyl esterase 0.0012 0.0127 0.0191
Echinococcus multilocularis BC026374 protein (S09 family) 0.0012 0.0127 0.0191
Echinococcus multilocularis acetylcholinesterase 0.0069 0.1414 0.2125
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0037 0.0707 0.1062
Toxoplasma gondii sugar transporter ST2 0.0015 0.0201 0.0305
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0032 0.0597 0.0903
Onchocerca volvulus 0.0015 0.0201 0.0147
Schistosoma mansoni nuclear transcription factor X-box binding 1 (nfx1) 0.0015 0.0201 0.0303
Loa Loa (eye worm) hypothetical protein 0.0015 0.0201 0.0303

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) 0.4959 uM ST_JUDE: Plasmodium falciparum K1 EC50 (uM) as measured by SYBR green dye ChEMBL. 20485428
EC50 (functional) = 0.5 uM Plasmodium falciparum K1 EC50 (uM) as measured by SYBR green dye Saint Jude. 20485428
EC50 (functional) = 0.57 uM Plasmodium falciparum K1 EC50 (uM) as measured by SYBR green dye Saint Jude. 20485428
EC50 (functional) = 0.77 uM Plasmodium falciparum 3D7 EC50 (uM) as measured by SYBR green dye Saint Jude. 20485428
EC50 (functional) 0.772 uM ST_JUDE: Plasmodium falciparum 3D7 EC50 (uM) as measured by SYBR green dye ChEMBL. 20485428
EC50 (functional) = 15 uM Plasmodium falciparum 3D7 EC50 (uM) as measured by SYBR green dye Saint Jude. 20485428
Ki (binding) = 4.9 uM Binding affinity to human P2Y1 receptor ChEMBL. 18445527
Ki (binding) = 4.9 uM Binding affinity to human P2Y1 receptor ChEMBL. 18445527
Percent growth inhibition (functional) = 90.6 % Plasmodium falciparum 3D7 % growth inhibition at 7uM as measured by YOYO-3 red dye Saint Jude. 20485428
Percent growth inhibition (functional) = 97.4 % Plasmodium falciparum 3D7 % growth inhibition at 7uM as measured by YOYO-3 red dye Saint Jude. 20485428
Percent growth inhibition (functional) = 97.9 % Plasmodium falciparum 3D7 % growth inhibition at 7uM as measured by SYBR green dye Saint Jude. 20485428
Percent growth inhibition (functional) = 119.9 % Plasmodium falciparum 3D7 % growth inhibition at 7uM as measured by SYBR green dye Saint Jude. 20485428

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 20485428

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

1 literature reference was collected for this gene.

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