Detailed information for compound 1325303

Basic information

Technical information
  • TDR Targets ID: 1325303
  • Name: (4,6-dimethyl-3-phenylsulfonylpyridin-2-yl) 2 -chloro-6-fluorobenzoate
  • MW: 419.854 | Formula: C20H15ClFNO4S
  • H donors: 0 H acceptors: 4 LogP: 4.88 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1nc(OC(=O)c2c(F)cccc2Cl)c(c(c1)C)S(=O)(=O)c1ccccc1
  • InChi: 1S/C20H15ClFNO4S/c1-12-11-13(2)23-19(18(12)28(25,26)14-7-4-3-5-8-14)27-20(24)17-15(21)9-6-10-16(17)22/h3-11H,1-2H3
  • InChiKey: SUEWOMDHUSXHMK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (4,6-dimethyl-3-phenylsulfonyl-2-pyridyl) 2-chloro-6-fluoro-benzoate
  • 2-chloro-6-fluorobenzoic acid (4,6-dimethyl-3-phenylsulfonyl-2-pyridyl) ester
  • 2-chloro-6-fluoro-benzoic acid (4,6-dimethyl-3-phenylsulfonyl-2-pyridyl) ester
  • (4,6-dimethyl-3-phenylsulfonyl-pyridin-2-yl) 2-chloro-6-fluoro-benzoate
  • Oprea1_268322
  • 5H-326S
  • 4,6-dimethyl-3-(phenylsulfonyl)-2-pyridinyl 2-chloro-6-fluorobenzenecarboxylate
  • MLS000541480
  • SMR000126338
  • ZINC01391663

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable oxidoreductase 0.0133 0.0169 0.0156
Wolbachia endosymbiont of Brugia malayi cysteinyl-tRNA synthetase 0.0088 0.0093 0.0551
Trypanosoma cruzi cysteinyl-tRNA synthetase, putative 0.0088 0.0093 0.3977
Loa Loa (eye worm) glutaminase 2 0.033 0.0499 1
Plasmodium vivax glutathione reductase, putative 0.0052 0.0034 0.1436
Plasmodium falciparum cysteine--tRNA ligase 0.0088 0.0093 0.3977
Brugia malayi cysteinyl tRNA synthetase protein 1 0.0088 0.0093 0.1832
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0231 0.0333 0.6657
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0049 0.0028 0.0015
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.0538 1
Brugia malayi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0035 0.0004 0.0049
Onchocerca volvulus 0.0119 0.0146 0.3748
Trichomonas vaginalis cysteinyl-tRNA synthetase, putative 0.0088 0.0093 0.1664
Loa Loa (eye worm) norepinephrine transporter 0.0168 0.0227 0.4529
Echinococcus multilocularis geminin 0.0205 0.0289 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.0538 1
Mycobacterium tuberculosis Probable reductase 0.012 0.0147 0.0134
Loa Loa (eye worm) hypothetical protein 0.018 0.0249 0.4959
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0168 0.0228 1
Trypanosoma brucei trypanothione reductase 0.0052 0.0034 0.1343
Treponema pallidum sodium- and chloride- dependent transporter 0.0168 0.0227 0.3017
Trichomonas vaginalis glutaminase, putative 0.033 0.0499 0.9283
Plasmodium falciparum thioredoxin reductase 0.0052 0.0034 0.1343
Echinococcus multilocularis thioredoxin glutathione reductase 0.0052 0.0034 0.1127
Trypanosoma cruzi cysteinyl-tRNA synthetase, putative 0.0088 0.0093 0.3977
Loa Loa (eye worm) solute carrier family 6 member 4 0.0168 0.0227 0.4529
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0119 0.0146 0.0133
Schistosoma mansoni inositol monophosphatase 0.0045 0.0021 0.0387
Schistosoma mansoni hypothetical protein 0.0205 0.0289 0.5775
Entamoeba histolytica cysteinyl-tRNA synthetase, putative 0.0088 0.0093 0.1664
Brugia malayi hypothetical protein 0.0057 0.0042 0.0794
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0168 0.0228 1
Plasmodium falciparum glutathione reductase 0.0052 0.0034 0.1343
Chlamydia trachomatis cysteine--tRNA ligase 0.0088 0.0093 0.1473
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0067 0.0059 0.1996
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.0088 0.0093 0.0089
Schistosoma mansoni cysteinyl-tRNA synthetase 0.0088 0.0093 0.1832
Echinococcus multilocularis dihydrofolate reductase 0.0049 0.0028 0.0903
Schistosoma mansoni cysteinyl-tRNA synthetase 0.0088 0.0093 0.1832
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0035 0.0004 0.0049
Brugia malayi Dihydrofolate reductase 0.0049 0.0028 0.0521
Toxoplasma gondii thioredoxin reductase 0.0052 0.0034 0.1436
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.0538 1
Loa Loa (eye worm) cysteinyl tRNA synthetase 1 0.0088 0.0093 0.1832
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0067 0.0059 0.0046
Onchocerca volvulus 0.0088 0.0093 0.237
Brugia malayi Thioredoxin reductase 0.0052 0.0034 0.0651
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0119 0.0146 0.2898
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.012 0.0147 0.0134
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.0538 1
Echinococcus granulosus dihydrofolate reductase 0.0049 0.0028 0.0967
Schistosoma mansoni sodium/chloride dependent transporter 0.0168 0.0227 0.4529
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.0538 1
Plasmodium vivax thioredoxin reductase, putative 0.0052 0.0034 0.1436
Mycobacterium leprae Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.0823 0.1325 0.1314
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.0059 0.1153
Plasmodium vivax N-acetylglucosamine-1-phosphate transferase, putative 0.0035 0.0004 0.0107
Mycobacterium tuberculosis Hypothetical protein 0.0057 0.0042 0.0028
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0021 0.0754
Mycobacterium tuberculosis Probable dehydrogenase 0.012 0.0147 0.0134
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0168 0.0228 1
Loa Loa (eye worm) hypothetical protein 0.018 0.0249 0.4959
Loa Loa (eye worm) glutaminase 0.033 0.0499 1
Echinococcus multilocularis muscleblind protein 0.018 0.0249 0.8587
Loa Loa (eye worm) hypothetical protein 0.0035 0.0004 0.0049
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.0042 0.0695
Echinococcus multilocularis thymidylate synthase 0.0119 0.0146 0.5018
Mycobacterium ulcerans glutaminase 0.033 0.0499 0.0495
Trypanosoma cruzi trypanothione reductase, putative 0.0052 0.0034 0.1343
Echinococcus granulosus UDP N acetylglucosamine dolichyl phosphate 0.0035 0.0004 0.0154
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0021 0.0316
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.0235 0.0222
Loa Loa (eye worm) thioredoxin reductase 0.0052 0.0034 0.0651
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.0538 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.0059 0.0055
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0168 0.0227 0.4529
Loa Loa (eye worm) glutathione reductase 0.0052 0.0034 0.0651
Treponema pallidum undecaprenyldiphospho-muramoylpentapeptide beta-N-acetylglucosaminyltransferase 0.019 0.0265 0.386
Echinococcus multilocularis serotonin transporter 0.0168 0.0227 0.7842
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0035 0.0004 0.0049
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) 0.0313 0.0471 0.849
Brugia malayi Inositol-1 0.0045 0.0021 0.0387
Loa Loa (eye worm) hypothetical protein 0.0168 0.0227 0.4529
Mycobacterium leprae Probable glycosyltransferase 0.004 0.0014 0.0001
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0021 0.0754
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0168 0.0228 1
Toxoplasma gondii glycosyl transferase, group 4 family protein 0.0035 0.0004 0.0107
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.0059 0.0055
Mycobacterium leprae ProbableUPD-N-acetylglucosamine-N-acetylmuramyl-(pentapeptide)pyrophosphoryl-undecaprenol-N-acetylglucosamine transferase MurG 0.0139 0.018 0.0166
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.0059 0.0055
Onchocerca volvulus 0.0263 0.0387 1
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0119 0.0146 0.0133
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.012 0.0147 0.0134
Brugia malayi Pre-SET motif family protein 0.0231 0.0333 0.6657
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.0235 0.0222
Toxoplasma gondii cysteine-tRNA synthetase (CysRS) 0.0088 0.0093 0.4041
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0052 0.0034 0.0021
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0021 0.0316
Echinococcus granulosus serotonin transporter 0.0168 0.0227 0.7857
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.0538 1
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0021 0.067
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.0235 0.0231
Loa Loa (eye worm) hypothetical protein 0.0168 0.0227 0.4529
Mycobacterium ulcerans undecaprenyldiphospho-muramoylpentapeptide beta-N-acetylglucosaminyltransferase 0.019 0.0265 0.026
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0133 0.0169 0.0156
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0133 0.0169 0.0156
Mycobacterium tuberculosis Cysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC 0.6002 1 1
Mycobacterium ulcerans thymidylate synthase 0.0119 0.0146 0.0142
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0067 0.0059 0.2053
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0168 0.0227 0.4529
Onchocerca volvulus 0.0035 0.0004 0.0063
Trypanosoma brucei cysteinyl-tRNA synthetase, putative 0.0088 0.0093 0.3977
Brugia malayi glutaminase DH11.1 0.033 0.0499 1
Trichomonas vaginalis set domain proteins, putative 0.0263 0.0387 0.7166
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.0538 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0021 0.0316
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0057 0.0042 0.1662
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0021 0.0754
Leishmania major trypanothione reductase 0.0052 0.0034 0.1343
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0313 0.0471 1
Plasmodium vivax cysteine--tRNA ligase, putative 0.0088 0.0093 0.4041
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0067 0.0059 0.2461
Loa Loa (eye worm) thymidylate synthase 0.0119 0.0146 0.2898
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0021 0.0854
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0021 0.0754
Toxoplasma gondii aldehyde dehydrogenase 0.0067 0.0059 0.2542
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.0538 1
Loa Loa (eye worm) hypothetical protein 0.0168 0.0227 0.4529
Loa Loa (eye worm) serotonin transporter b 0.0168 0.0227 0.4529
Schistosoma mansoni glutaminase 0.033 0.0499 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.012 0.0147 0.0134
Schistosoma mansoni hypothetical protein 0.0205 0.0289 0.5775
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0168 0.0228 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.0538 1
Echinococcus granulosus thymidylate synthase 0.0119 0.0146 0.5053
Echinococcus multilocularis UDP N acetylglucosamine dolichyl phosphate 0.0035 0.0004 0.0084
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0021 0.0316
Schistosoma mansoni dihydrofolate reductase 0.0049 0.0028 0.0521
Echinococcus granulosus geminin 0.0205 0.0289 1
Mycobacterium ulcerans glycosyltransferase 0.004 0.0014 0.001
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0049 0.0028 0.0024
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0823 0.1325 0.1321
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine:LPS N-acetylglucosamine transferase 0.019 0.0265 0.1867
Echinococcus multilocularis muscleblind protein 1 0.018 0.0249 0.8587
Giardia lamblia Cysteinyl-tRNA synthetase 0.0088 0.0093 0.1664
Brugia malayi Muscleblind-like protein 0.018 0.0249 0.4959
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0021 0.0017
Echinococcus granulosus leucyl tRNA synthetase 0.0088 0.0093 0.3221
Onchocerca volvulus 0.0168 0.0227 0.5858
Loa Loa (eye worm) dihydrofolate reductase 0.0049 0.0028 0.0521
Loa Loa (eye worm) inositol-1 0.0045 0.0021 0.0387
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0823 0.1325 1
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.0823 0.1325 0.1314
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0168 0.0228 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.0538 1
Schistosoma mansoni inositol monophosphatase 0.0045 0.0021 0.0387
Echinococcus multilocularis cysteinyl tRNA synthetase 0.0088 0.0093 0.3173
Echinococcus granulosus thioredoxin glutathione reductase 0.0052 0.0034 0.119
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.0538 1
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.0059 0.1153
Echinococcus granulosus cysteinyl tRNA synthetase 0.0088 0.0093 0.3221
Mycobacterium tuberculosis Probable UPD-N-acetylglucosamine-N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol-N-acetylglucosamine transferase MurG 0.0139 0.018 0.0166
Brugia malayi dihydrofolate reductase family protein 0.0049 0.0028 0.0521
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0049 0.0028 0.0015
Mycobacterium tuberculosis Probable glycosyltransferase 0.004 0.0014 0.0001
Plasmodium falciparum cysteine--tRNA ligase 0.0088 0.0093 0.3977
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0002 0.0071
Loa Loa (eye worm) hypothetical protein 0.0088 0.0093 0.1832
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0021 0.0736
Mycobacterium tuberculosis Probable glycosyltransferase 0.004 0.0014 0.0001
Chlamydia trachomatis UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase 0.019 0.0265 0.535
Echinococcus granulosus muscleblind protein 0.018 0.0249 0.8597
Mycobacterium tuberculosis Putative ferredoxin reductase 0.012 0.0147 0.0134
Brugia malayi glutathione reductase 0.0052 0.0034 0.0651
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.012 0.0147 0.0134
Leishmania major cysteinyl-tRNA synthetase, putative 0.0088 0.0093 0.3977
Brugia malayi thymidylate synthase 0.0119 0.0146 0.2898
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0133 0.0169 0.0156
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.6002 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0185 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) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (binding) 4.4668 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3601 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7407 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 20.7491 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): qHTS. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens 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.
 
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

No literature references available for this target.

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