Detailed information for compound 738546

Basic information

Technical information
  • TDR Targets ID: 738546
  • Name: 2-[(4-fluorophenyl)-methylsulfonylamino]-N-(2 -methoxy-5-methylphenyl)acetamide
  • MW: 366.407 | Formula: C17H19FN2O4S
  • H donors: 1 H acceptors: 3 LogP: 2.41 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1NC(=O)CN(S(=O)(=O)C)c1ccc(cc1)F)C
  • InChi: 1S/C17H19FN2O4S/c1-12-4-9-16(24-2)15(10-12)19-17(21)11-20(25(3,22)23)14-7-5-13(18)6-8-14/h4-10H,11H2,1-3H3,(H,19,21)
  • InChiKey: BYYKPTNNPHLXTI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(4-fluorophenyl)-methylsulfonyl-amino]-N-(2-methoxy-5-methyl-phenyl)acetamide
  • 2-[(4-fluorophenyl)-mesyl-amino]-N-(2-methoxy-5-methyl-phenyl)acetamide
  • 2-[(4-fluorophenyl)-methylsulfonyl-amino]-N-(2-methoxy-5-methyl-phenyl)ethanamide
  • MLS000110143
  • CBKinase1_014730
  • CBKinase1_002330
  • ZINC01169731
  • SMR000106075

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0036 0.0583 0.9516
Mycobacterium ulcerans lipase LipD 0.0037 0.0612 0.0959
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0077 0.0042
Mycobacterium ulcerans hypothetical protein 0.0037 0.0612 0.0959
Brugia malayi Cam kinase protein 1 0.0032 0.0477 0.0748
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0077 0.0042
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0612 0.1149
Loa Loa (eye worm) sugar transporter 0.0014 0.0077 0.0121
Brugia malayi Sugar transporter family protein 0.0014 0.0077 0.0121
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0077 0.0042
Onchocerca volvulus 0.0014 0.0077 0.0049
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0077 0.0042
Toxoplasma gondii Erv1 / Alr family protein 0.0036 0.0571 0.0869
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0612 0.0959
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0036 0.0583 0.0887
Leishmania major hypothetical protein, conserved 0.0014 0.0077 0.1258
Onchocerca volvulus 0.0014 0.0077 0.0049
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.003 0.0446 0.0698
Loa Loa (eye worm) hypothetical protein 0.0031 0.0463 0.0725
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0612 0.1149
Loa Loa (eye worm) hypothetical protein 0.0013 0.005 0.0079
Echinococcus multilocularis jumonji domain containing protein 0.0042 0.0723 0.3357
Plasmodium falciparum lysine--tRNA ligase 0.0023 0.0277 0.0201
Trypanosoma brucei glucose transporter 2A 0.0032 0.0487 0.7953
Echinococcus multilocularis solute carrier family 22 0.0014 0.0077 0.0358
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0077 0.0042
Loa Loa (eye worm) hypothetical protein 0.0025 0.0326 0.0511
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0032 0.0477 0.2216
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0103 0.2155 1
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0031 0.0463 0.0725
Leishmania major glucose transporter, lmgt1 0.0032 0.0487 0.7953
Brugia malayi hypothetical protein 0.0014 0.0077 0.0121
Onchocerca volvulus 0.0037 0.0612 0.1032
Echinococcus granulosus aryl hydrocarbon receptor 0.0013 0.005 0.0233
Loa Loa (eye worm) hypothetical protein 0.0023 0.0277 0.0434
Onchocerca volvulus 0.0014 0.0077 0.0049
Onchocerca volvulus 0.0037 0.0612 0.1032
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0013 0.005 0.0819
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0032 0.0478 0.0728
Schistosoma mansoni protein kinase 0.0032 0.0477 0.0748
Trichomonas vaginalis glucose transporter, putative 0.0032 0.0487 0.069
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0463 0.0725
Trypanosoma brucei glucose transporter, putative 0.0032 0.0487 0.7953
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0477 0.2216
Echinococcus multilocularis peregrin 0.003 0.0446 0.2069
Toxoplasma gondii ABC1 family protein 0.0037 0.0612 0.0932
Trichomonas vaginalis esterase, putative 0.0037 0.0612 0.0888
Brugia malayi hypothetical protein 0.0172 0.3779 0.5921
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0077 0.0042
Onchocerca volvulus 0.0014 0.0077 0.0049
Brugia malayi Bromodomain containing protein 0.003 0.0446 0.0698
Toxoplasma gondii sugar transporter ST3 0.0014 0.0077 0.0117
Trypanosoma cruzi hexose transporter 0.0032 0.0487 0.7953
Schistosoma mansoni protein kinase 0.0032 0.0477 0.0748
Loa Loa (eye worm) hypothetical protein 0.0037 0.0612 0.0959
Schistosoma mansoni glucose transport protein 0.0103 0.2155 0.3377
Loa Loa (eye worm) PHD-finger family protein 0.003 0.0446 0.0698
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0015 0.0096 0.1574
Trypanosoma brucei sugar transporter, putative 0.0014 0.0077 0.1258
Brugia malayi beta-lactamase 0.0037 0.0612 0.0959
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0779 0.3613
Plasmodium falciparum calcium-dependent protein kinase 1 0.0032 0.0478 0.0404
Mycobacterium ulcerans putative regulatory protein 0.0038 0.0629 0.0985
Onchocerca volvulus 0.0014 0.0077 0.0049
Loa Loa (eye worm) hypothetical protein 0.0014 0.0077 0.0121
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0036 0.0571 0.9325
Brugia malayi lysyl-tRNA synthetase 0.0023 0.0277 0.0434
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0077 0.0042
Trypanosoma cruzi sugar transporter, putative 0.0014 0.0077 0.1258
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0612 0.0959
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0023 0.0277 0.0434
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0031 0.0463 0.2146
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0103 0.2155 1
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0487 0.7953
Echinococcus multilocularis PHD finger protein rhinoceros 0.003 0.0446 0.2069
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0779 0.3613
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.002 0.021 0.0253
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0013 0.005 0.0079
Loa Loa (eye worm) hypothetical protein 0.0014 0.0077 0.0121
Onchocerca volvulus 0.0014 0.0077 0.0049
Loa Loa (eye worm) cytochrome P450 family protein 0.0031 0.0473 0.074
Brugia malayi Augmenter of liver regeneration 0.0036 0.0571 0.0895
Echinococcus granulosus peregrin 0.003 0.0446 0.2069
Mycobacterium leprae Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.002 0.0195 0.3192
Plasmodium falciparum calcium-dependent protein kinase 4 0.0032 0.0478 0.0404
Toxoplasma gondii lysine-tRNA ligase 0.0023 0.0277 0.0421
Schistosoma mansoni single-minded 0.0051 0.0942 0.1476
Schistosoma mansoni lysyl-tRNA synthetase 0.0023 0.0277 0.0434
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0031 0.0463 0.0651
Echinococcus granulosus lysyl tRNA synthetase 0.0023 0.0277 0.1284
Trichomonas vaginalis sugar transporter, putative 0.0032 0.0487 0.069
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0077 0.0042
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0477 0.2216
Plasmodium vivax SET domain protein, putative 0.0031 0.0463 0.0389
Brugia malayi beta-lactamase family protein 0.0037 0.0612 0.0959
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0032 0.0477 0.2216
Leishmania major hypothetical protein, conserved 0.0036 0.0571 0.9325
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0103 0.2155 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.3123 0.4893
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0077 0.0042
Loa Loa (eye worm) hypothetical protein 0.0052 0.0952 0.1492
Leishmania major glucose transporter, lmgt2 0.0032 0.0487 0.7953
Brugia malayi PAS domain containing protein 0.0051 0.0942 0.1476
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.0595 0.0932
Onchocerca volvulus 0.0014 0.0077 0.0049
Plasmodium falciparum mitogen-activated protein kinase 2 0.0166 0.3644 0.3595
Mycobacterium tuberculosis Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter) 0.0014 0.0077 0.0145
Loa Loa (eye worm) hypoxia-induced factor 1 0.0159 0.3466 0.543
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.0014 0.0077 0.0121
Onchocerca volvulus Putative transporter 0.0014 0.0077 0.0049
Onchocerca volvulus 0.0014 0.0077 0.0049
Leishmania major myo-inositol/proton symporter (MIT) 0.0014 0.0077 0.1258
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0612 1
Echinococcus multilocularis General substrate transporter 0.0088 0.1815 0.8422
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0032 0.0477 0.0748
Mycobacterium tuberculosis Conserved protein 0.0037 0.0612 0.1149
Loa Loa (eye worm) hypothetical protein 0.0037 0.0612 0.0959
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0077 0.0042
Loa Loa (eye worm) hypothetical protein 0.0014 0.0077 0.0121
Plasmodium vivax calcium-dependent protein kinase, putative 0.0032 0.0478 0.0404
Giardia lamblia Lysyl-tRNA synthetase 0.0023 0.0277 0.5182
Loa Loa (eye worm) hypothetical protein 0.0014 0.0077 0.0121
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0446 0.0679
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.0013 0.005 0.0233
Trypanosoma brucei glucose transporter, putative 0.0032 0.0487 0.7953
Echinococcus granulosus calcium dependent protein kinase 0.003 0.0432 0.2003
Leishmania major protein kinase, putative 0.0015 0.0096 0.1574
Brugia malayi jmjC domain containing protein 0.0099 0.2058 0.3225
Mycobacterium ulcerans glutaminase 0.0283 0.6383 1
Echinococcus granulosus synaptic vesicle 2 protein 0.0014 0.0077 0.0358
Mycobacterium tuberculosis Conserved protein 0.0037 0.0612 0.1149
Echinococcus granulosus solute carrier family 22 0.0014 0.0077 0.0358
Schistosoma mansoni lysyl-tRNA synthetase 0.0023 0.0277 0.0434
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0612 0.1149
Loa Loa (eye worm) hypothetical protein 0.0014 0.0077 0.0121
Mycobacterium ulcerans beta-lactamase 0.0037 0.0612 0.0959
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0612 0.0959
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0612 0.0959
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0612 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0612 0.0959
Plasmodium vivax hexose transporter 0.0103 0.2155 0.2094
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0779 0.3613
Onchocerca volvulus 0.0014 0.0077 0.0049
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0077 0.0042
Loa Loa (eye worm) hypothetical protein 0.0031 0.0463 0.0725
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0103 0.2155 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0077 0.0121
Schistosoma mansoni nuclear transcription factor X-box binding 1 (nfx1) 0.0014 0.0077 0.0121
Plasmodium vivax proline--tRNA ligase, putative 0.0036 0.0583 0.051
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0032 0.0478 0.0404
Schistosoma mansoni hypothetical protein 0.003 0.0446 0.0698
Brugia malayi hypoxia-induced factor 1 0.0159 0.3466 0.543
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0077 0.0042
Onchocerca volvulus 0.0014 0.0077 0.0049
Brugia malayi bHLH-PAS transcription factor 0.0038 0.0629 0.0985
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0077 0.0042
Brugia malayi jmjC domain containing protein 0.0037 0.0595 0.0932
Brugia malayi major facilitator superfamily protein 0.0014 0.0077 0.0121
Trichomonas vaginalis myo-inositol transporter, putative 0.0014 0.0077 0.0042
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0013 0.005 0.0819
Onchocerca volvulus 0.0037 0.0612 0.1032
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0077 0.0042
Onchocerca volvulus Alhambra homolog 0.003 0.0446 0.0727
Schistosoma mansoni sugar transporter 0.0014 0.0077 0.0121
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0779 0.122
Mycobacterium tuberculosis Conserved protein 0.0037 0.0612 0.1149
Brugia malayi follicle stimulating hormone receptor 0.024 0.5368 0.841
Plasmodium falciparum calcium-dependent protein kinase 5 0.0032 0.0478 0.0404
Mycobacterium tuberculosis Probable conserved integral membrane transport protein 0.0014 0.0077 0.0145
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0023 0.0277 0.0358
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0077 0.0042
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0103 0.2155 1
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0036 0.0571 0.9325
Trypanosoma cruzi hexose transporter, putative 0.0017 0.0147 0.24
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0463 0.2147
Echinococcus granulosus Sugar transporter ERD6 protein 0.0014 0.0077 0.0358
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0077 0.0042
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0023 0.0277 0.0434
Trichomonas vaginalis glutaminase, putative 0.0283 0.6383 1
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0166 0.3644 0.3595
Schistosoma mansoni glucose transport protein 0.0103 0.2155 0.3377
Echinococcus granulosus jumonji domain containing protein 0.0042 0.0723 0.3357
Onchocerca volvulus 0.0014 0.0077 0.0049
Trichomonas vaginalis conserved hypothetical protein 0.0103 0.2155 0.3324
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0032 0.0478 0.0728
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0023 0.0277 0.452
Mycobacterium ulcerans sugar transporter 0.0014 0.0077 0.0121
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0487 0.7953
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0077 0.0042
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0032 0.0477 0.0748
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0099 0.2058 0.9551
Brugia malayi glutaminase DH11.1 0.0283 0.6383 1
Plasmodium falciparum protein kinase 7 0.0291 0.6569 0.6542
Toxoplasma gondii transporter, major facilitator family protein 0.0014 0.0077 0.0117
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0099 0.2058 0.9551
Schistosoma mansoni aryl hydrocarbon receptor 0.0051 0.0942 0.1476
Onchocerca volvulus 0.0038 0.0629 0.1063
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0238 0.5329 1
Loa Loa (eye worm) beta-lactamase 0.0037 0.0612 0.0959
Mycobacterium leprae Possible regulatory protein 0.0013 0.005 0.0819
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0077 0.0042
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0595 0.0932
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.0014 0.0077 0.0121
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0077 0.0042
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0463 0.2147
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0032 0.0477 0.0748
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0031 0.0463 0.2146
Brugia malayi PHD-finger family protein 0.003 0.0446 0.0698
Trypanosoma brucei glucose transporter, putative 0.0032 0.0487 0.7953
Brugia malayi beta-lactamase family protein 0.0037 0.0612 0.0959
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0215 0.4797 0.7515
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0036 0.0571 0.9325
Trichomonas vaginalis sugar transport protein, putative 0.0014 0.0077 0.0042
Echinococcus multilocularis transfer RNA-Lys 0.0038 0.0629 0.2918
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0463 0.2147
Trypanosoma brucei glucose transporter, putative 0.0032 0.0487 0.7953
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0036 0.0571 0.265
Loa Loa (eye worm) major facilitator superfamily transporter 0.0014 0.0077 0.0121
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0779 0.122
Leishmania major hypothetical protein, conserved 0.0037 0.0612 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0077 0.0121
Plasmodium falciparum phd finger protein, putative 0.003 0.0446 0.0372
Trypanosoma brucei glucose transporter, putative 0.0032 0.0487 0.7953
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0077 0.0042
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0014 0.0077 0.5
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0032 0.0478 0.0404
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0077 0.0042
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0612 0.1149
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0612 0.0959
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0612 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0612 0.2841
Brugia malayi Cytochrome P450 family protein 0.0031 0.0473 0.074
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0103 0.2155 1
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0036 0.0571 0.0498
Echinococcus multilocularis aryl hydrocarbon receptor 0.0013 0.005 0.0233
Brugia malayi hypothetical protein 0.0014 0.0077 0.0121
Loa Loa (eye worm) sugar transporter 0.0103 0.2155 0.3377
Onchocerca volvulus 0.0031 0.0463 0.0758
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0612 0.1149
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0487 0.7953
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0077 0.0042
Schistosoma mansoni serine/threonine protein kinase 0.0032 0.0477 0.0748
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0487 0.069
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0612 0.0888
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0436 0.2023
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.002 0.0195 0.0367
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0077 0.0042
Loa Loa (eye worm) hepatopoietin HPO2 0.0036 0.0571 0.0895
Schistosoma mansoni sugar transporter 0.0014 0.0077 0.0121
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0077 0.0042
Echinococcus multilocularis Sugar transporter ERD6 protein 0.0014 0.0077 0.0358
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0077 0.0042
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0031 0.0463 0.0725
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0032 0.0477 0.7798
Loa Loa (eye worm) hypothetical protein 0.0037 0.0612 0.0959
Trichomonas vaginalis CAMK family protein kinase 0.0032 0.0477 0.0675
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0032 0.0478 0.0728
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0779 0.122
Loa Loa (eye worm) hypothetical protein 0.0014 0.0077 0.0121
Trypanosoma cruzi glucose transporter, putative 0.0014 0.0077 0.1258
Leishmania major protein kinase, putative 0.0032 0.0477 0.7798
Mycobacterium ulcerans integral membrane transport protein 0.0014 0.0077 0.0121
Entamoeba histolytica protein kinase, putative 0.0032 0.0477 1
Echinococcus granulosus General substrate transporter 0.0088 0.1815 0.8422
Loa Loa (eye worm) jmjC domain-containing protein 0.0062 0.12 0.1881
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0013 0.005 0.0233
Entamoeba histolytica protein kinase, putative 0.0032 0.0477 1
Plasmodium falciparum calcium-dependent protein kinase 3 0.0032 0.0478 0.0404
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0463 0.0725
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0036 0.0571 0.265
Echinococcus granulosus single minded 2 0.0038 0.0629 0.2918
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0612 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0612 0.0959
Loa Loa (eye worm) major facilitator superfamily transporter 0.0014 0.0077 0.0121
Trypanosoma cruzi hexose transporter, putative 0.0014 0.0077 0.1258
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.3123 0.4893
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0779 0.122
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0487 0.7953
Brugia malayi Sugar transporter family protein 0.0014 0.0077 0.0121
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0031 0.0463 0.0725
Schistosoma mansoni glucose transport protein 0.0103 0.2155 0.3377
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0077 0.0042
Trypanosoma brucei glucose transporter 1E 0.0032 0.0487 0.7953
Plasmodium vivax CDK-related protein kinase 6, putative 0.0437 1 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0477 0.0748
Brugia malayi major facilitator superfamily protein 0.0014 0.0077 0.0121
Loa Loa (eye worm) follicle stimulating hormone receptor 0.024 0.5368 0.841
Giardia lamblia PHD finger protein 15 0.003 0.0446 0.9567
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0031 0.0463 0.9253
Loa Loa (eye worm) bifunctional aminoacyl-tRNA synthetase 0.0013 0.0035 0.0055
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0612 0.1149
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0036 0.0583 0.9516
Brugia malayi Major Facilitator Superfamily protein 0.0014 0.0077 0.0121
Echinococcus multilocularis lysyl tRNA synthetase 0.0023 0.0277 0.1284
Echinococcus granulosus solute carrier family 22 0.0014 0.0077 0.0358
Echinococcus granulosus PHD finger protein rhinoceros 0.003 0.0446 0.2069
Loa Loa (eye worm) hypothetical protein 0.003 0.0446 0.0698
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0031 0.0463 0.7553
Leishmania major lysyl-tRNA synthetase, putative 0.0023 0.0277 0.452
Brugia malayi hypothetical protein 0.0014 0.0077 0.0121
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0077 0.0042
Trichomonas vaginalis set domain proteins, putative 0.0245 0.5496 0.8599
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0036 0.0583 0.9516
Toxoplasma gondii sugar transporter ST1 0.0014 0.0077 0.0117
Loa Loa (eye worm) glutaminase 2 0.0283 0.6383 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0463 0.0725
Trichomonas vaginalis sugar transporter, putative 0.0032 0.0487 0.069
Trypanosoma brucei glucose transporter, putative 0.0032 0.0487 0.7953
Echinococcus multilocularis solute carrier family 22 0.0014 0.0077 0.0358
Schistosoma mansoni protein kinase 0.0032 0.0477 0.0748
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0077 0.0042
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0463 0.0725
Trichomonas vaginalis glucose transporter, putative 0.0014 0.0077 0.0042
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0077 0.0042
Schistosoma mansoni sugar transporter 0.0014 0.0077 0.0121
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0463 0.0704
Echinococcus multilocularis calcium dependent protein kinase 0.003 0.0432 0.2003
Echinococcus multilocularis solute carrier family 22 0.0014 0.0077 0.0358
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0032 0.0478 0.0404
Echinococcus multilocularis synaptic vesicle 2 protein 0.0014 0.0077 0.0358
Brugia malayi Pre-SET motif family protein 0.0215 0.4797 0.7515
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0612 0.0888
Toxoplasma gondii sugar transporter ST2 0.0014 0.0077 0.0117
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0015 0.0096 0.1574
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0612 0.1149
Loa Loa (eye worm) hypothetical protein 0.0014 0.0077 0.0121
Brugia malayi Major Facilitator Superfamily protein 0.0014 0.0077 0.0121
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0446 0.0679
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0779 0.122
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0032 0.0477 0.2216
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0612 0.0888
Onchocerca volvulus 0.0014 0.0077 0.0049
Onchocerca volvulus 0.0014 0.0077 0.0049
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0077 0.0042
Loa Loa (eye worm) glutaminase 0.0283 0.6383 1
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0031 0.0463 0.0725
Schistosoma mansoni jumonji domain containing protein 0.0079 0.1581 0.2477
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0612 0.0888
Schistosoma mansoni hypothetical protein 0.0103 0.2155 0.3377
Toxoplasma gondii Erv1 / Alr family protein 0.0036 0.0571 0.0869
Chlamydia trachomatis lysine--tRNA ligase 0.0023 0.0277 1
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0612 0.0539
Loa Loa (eye worm) hypothetical protein 0.0014 0.0077 0.0121
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0477 0.2216
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0077 0.0042
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.002 0.0195 0.0367
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0015 0.0096 0.1574
Giardia lamblia Prolyl-tRNA synthetase 0.0031 0.0463 1
Echinococcus granulosus lysine specific demethylase 5A 0.0037 0.0595 0.2761
Loa Loa (eye worm) hypothetical protein 0.0172 0.3779 0.5921
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0015 0.0096 0.1574
Echinococcus granulosus solute carrier family 22 0.0014 0.0077 0.0358
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0487 0.069
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0077 0.0042
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0779 0.3613
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0103 0.2155 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0077 0.0121
Plasmodium falciparum hexose transporter 0.0103 0.2155 0.2094
Plasmodium falciparum proline--tRNA ligase 0.0036 0.0583 0.051
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0077 0.0042
Loa Loa (eye worm) hypothetical protein 0.0037 0.0612 0.0959
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0036 0.0583 0.9516
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0077 0.0042
Mycobacterium leprae Probable lipase LipE 0.0037 0.0612 1
Schistosoma mansoni glucose transporter 0.0014 0.0077 0.0121
Loa Loa (eye worm) hypothetical protein 0.0014 0.0077 0.0121
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0023 0.0277 0.452
Leishmania major protein kinase, putative 0.0015 0.0096 0.1574
Toxoplasma gondii facilitative glucose transporter GT1 0.0103 0.2155 0.3281
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0463 0.0725
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0477 0.2216
Brugia malayi Major Facilitator Superfamily protein 0.0014 0.0077 0.0121
Trichomonas vaginalis sugar transporter, putative 0.0032 0.0487 0.069
Loa Loa (eye worm) hypothetical protein 0.0014 0.0077 0.0121
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0077 0.0042
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0036 0.0571 0.9325
Schistosoma mansoni sugar transporter 0.0014 0.0077 0.0121
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0487 0.7953
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0166 0.3644 0.5548
Loa Loa (eye worm) hypothetical protein 0.0014 0.0077 0.0121
Onchocerca volvulus 0.0014 0.0077 0.0049
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0077 0.0042
Brugia malayi Pre-SET motif family protein 0.0031 0.0463 0.0725
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0036 0.0583 0.9516
Trypanosoma brucei glucose transporter, putative 0.0032 0.0487 0.7953
Onchocerca volvulus 0.0014 0.0077 0.0049
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0013 0.005 0.0819
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0077 0.0042
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0487 0.7953
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0612 0.2841
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0032 0.0477 0.2216
Trypanosoma brucei myo-inositol/proton symporter (MIT) 0.0014 0.0077 0.1258
Trichomonas vaginalis glucose transporter, putative 0.0032 0.0487 0.069
Brugia malayi MH2 domain containing protein 0.0144 0.3123 0.4893
Leishmania major glucose transporter, lmgt3 0.0032 0.0487 0.7953
Onchocerca volvulus 0.0245 0.5496 1
Schistosoma mansoni glutaminase 0.0283 0.6383 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0612 0.0959
Onchocerca volvulus 0.0014 0.0077 0.0049
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0103 0.2155 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0037 0.0595 0.2761
Plasmodium vivax lysine--tRNA ligase, putative 0.0023 0.0277 0.0201
Leishmania major glucose transporter/membrane transporter D2, putative 0.0032 0.0487 0.7953
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0077 0.0042
Toxoplasma gondii protein kinase, putative 0.0291 0.6569 1
Echinococcus granulosus solute carrier family 22 0.0014 0.0077 0.0358
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0595 0.0932
Brugia malayi Sugar transporter family protein 0.0103 0.2155 0.3377
Plasmodium vivax hypothetical protein, conserved 0.003 0.0446 0.0372
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0036 0.0571 0.0498
Trypanosoma brucei glucose transporter, putative 0.0032 0.0487 0.7953
Loa Loa (eye worm) hypothetical protein 0.0014 0.0077 0.0121
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0023 0.0277 0.452
Plasmodium falciparum calcium-dependent protein kinase 2 0.0032 0.0478 0.0404
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0077 0.0042
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0612 0.0888
Echinococcus multilocularis solute carrier family 22 0.0014 0.0077 0.0358
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0077 0.0042

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.1475 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 23.1093 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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