Detailed information for compound 662530

Basic information

Technical information
  • TDR Targets ID: 662530
  • Name: methyl 4-(4-chlorophenyl)-2-(furan-2-carbonyl amino)thiophene-3-carboxylate
  • MW: 361.799 | Formula: C17H12ClNO4S
  • H donors: 1 H acceptors: 2 LogP: 4.83 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1c(scc1c1ccc(cc1)Cl)NC(=O)c1ccco1
  • InChi: 1S/C17H12ClNO4S/c1-22-17(21)14-12(10-4-6-11(18)7-5-10)9-24-16(14)19-15(20)13-3-2-8-23-13/h2-9H,1H3,(H,19,20)
  • InChiKey: KYRSIQDXTQMEPJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-(4-chlorophenyl)-2-[(2-furyl-oxomethyl)amino]-3-thiophenecarboxylic acid methyl ester
  • 4-(4-chlorophenyl)-2-(furan-2-carbonylamino)thiophene-3-carboxylic acid methyl ester
  • methyl 4-(4-chlorophenyl)-2-(furan-2-ylcarbonylamino)thiophene-3-carboxylate
  • ZINC01114152
  • IVK/9043628

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi 6-phosphofructokinase 0.0112 0.2863 0.4185
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.1465 0.3743
Schistosoma mansoni serine/threonine protein kinase 0.0098 0.242 0.8452
Schistosoma mansoni lipoxygenase 0.0057 0.1198 0.4183
Entamoeba histolytica serine/threonine protein kinase, putative 0.0098 0.242 0.8452
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0063 0.1369 0.1369
Echinococcus multilocularis survival motor neuron protein 1 0.0244 0.6842 0.6842
Toxoplasma gondii 6-phosphofructokinase 0.003 0.0393 0.1488
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0063 0.1385 0.1385
Brugia malayi Pre-SET motif family protein 0.0031 0.0408 0.0597
Schistosoma mansoni rab6-interacting 0.002 0.0093 0.0323
Entamoeba histolytica phosphofructokinase, putative 0.0112 0.2863 1
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0038 0.0629 0.2196
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.1465 0.5117
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0393 0.0573
Brugia malayi Doublecortin family protein 0.002 0.0093 0.0135
Schistosoma mansoni inositol monophosphatase 0.0038 0.0629 0.2196
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0393 0.0573
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0105 0.2641 1
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0096 0.2382 0.7847
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0787 0.1148
Schistosoma mansoni chromobox protein 0.0072 0.1648 0.5756
Plasmodium vivax SET domain protein, putative 0.0031 0.0408 0.1546
Echinococcus multilocularis chromobox protein 1 0.0072 0.1648 0.1648
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.1369 0.4782
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0063 0.1385 0.4838
Schistosoma mansoni chromobox protein 0.0072 0.1648 0.5756
Trypanosoma cruzi polo-like protein kinase, putative 0.0098 0.242 0.8452
Trichomonas vaginalis chromobox protein, putative 0.0072 0.1648 0.2404
Leishmania major ATP-dependent phosphofructokinase 0.0112 0.2863 1
Plasmodium vivax 6-phosphofructokinase, putative 0.003 0.0393 0.1488
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0034 0.0508 0.0094
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.0629 0.0629
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.0935 0.1364
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0093 0.0093
Schistosoma mansoni 6-phosphofructokinase 0.0112 0.2863 1
Brugia malayi hypothetical protein 0.002 0.0093 0.0135
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.003 0.0393 0.1488
Brugia malayi glucose-6-phosphate dehydrogenase 0.0096 0.2382 0.3482
Plasmodium vivax multidomain scavenger receptor, putative 0.002 0.0093 0.0351
Loa Loa (eye worm) 6-phosphofructokinase 0.0112 0.2863 0.4185
Loa Loa (eye worm) phosphofructokinase 0.0112 0.2863 0.4185
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.1465 0.5117
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0096 0.2382 0.832
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0063 0.1369 0.4782
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0096 0.2382 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0098 0.242 0.242
Onchocerca volvulus 0.0051 0.1019 0.1486
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0393 0.0573
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0038 0.0629 0.2381
Loa Loa (eye worm) hypothetical protein 0.002 0.0093 0.0135
Loa Loa (eye worm) hypothetical protein 0.002 0.0093 0.0135
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.1369 0.3314
Echinococcus granulosus 6 phosphofructokinase 0.0112 0.2863 0.2863
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.242 0.353
Loa Loa (eye worm) inositol-1 0.0038 0.0629 0.0919
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0374 0.0374
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0112 0.2863 1
Trichomonas vaginalis phosphofructokinase, putative 0.0112 0.2863 0.4177
Schistosoma mansoni polycystin 1-related 0.002 0.0093 0.0323
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0408 0.1425
Onchocerca volvulus Serine\/threonine kinase homolog 0.0098 0.242 0.353
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.0629 0.0629
Schistosoma mansoni hypothetical protein 0.002 0.0093 0.0323
Echinococcus multilocularis Polycystic kidney disease protein 0.002 0.0093 0.0093
Schistosoma mansoni loxhd1 0.002 0.0093 0.0323
Brugia malayi chromobox protein homolog 3 0.004 0.0695 0.1015
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0063 0.1385 0.3385
Echinococcus granulosus RUN 0.002 0.0093 0.0093
Entamoeba histolytica phosphofructokinase, putative 0.0112 0.2863 1
Echinococcus granulosus Polycystic kidney disease protein 0.002 0.0093 0.0093
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0787 0.1148
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0032 0.0441 0.1539
Trypanosoma cruzi cruzipain precursor, putative 0.0066 0.1465 0.5117
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.003 0.0393 0.1488
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0096 0.2382 0.8053
Onchocerca volvulus 0.0245 0.6854 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.1465 0.3743
Onchocerca volvulus 0.002 0.0093 0.0135
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0063 0.1375 0.334
Trichomonas vaginalis phosphofructokinase, putative 0.0112 0.2863 0.4177
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0408 0.0408
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.1465 0.3743
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0695 0.1014
Onchocerca volvulus 0.0043 0.0763 0.1113
Loa Loa (eye worm) hypothetical protein 0.0051 0.1019 0.1489
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0093 0.0093
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.1465 0.3743
Trichomonas vaginalis set domain proteins, putative 0.0245 0.6854 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.006 0.1293 0.4515
Trypanosoma cruzi polo-like protein kinase, putative 0.0098 0.242 0.8452
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0063 0.1385 0.3783
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.1465 0.5117
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0408 0.0408
Echinococcus multilocularis tumor protein p63 0.0349 1 1
Trypanosoma brucei polo-like protein kinase 0.0098 0.242 0.8016
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0695 0.1014
Schistosoma mansoni rab6-interacting 0.002 0.0093 0.0323
Schistosoma mansoni kinase 0.005 0.0973 0.34
Loa Loa (eye worm) doublecortin family protein 0.002 0.0093 0.0135
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0112 0.2863 1
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0063 0.1375 0.5207
Trichomonas vaginalis phosphofructokinase, putative 0.0112 0.2863 0.4177
Brugia malayi Pre-SET motif family protein 0.0215 0.5959 0.871
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.1465 0.3743
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0105 0.2641 0.3853
Loa Loa (eye worm) hypothetical protein 0.0032 0.0432 0.0631
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0096 0.2382 0.832
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.1465 0.3743
Onchocerca volvulus 0.005 0.098 0.143
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.034 0.0495
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.1369 0.4782
Trichomonas vaginalis phosphofructokinase, putative 0.0112 0.2863 0.4177
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.003 0.0393 0.1373
Toxoplasma gondii phosphofructokinase PFKII 0.003 0.0393 0.1488
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0098 0.242 0.242
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.1369 0.3314
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0096 0.2382 0.2382
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.242 0.353
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.242 0.353
Leishmania major cathepsin L-like protease 0.0066 0.1465 0.5117
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0055 0.1145 0.1673
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.0935 0.1364
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.1465 0.3743
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0112 0.2863 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0052 0.104 0.3632
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0063 0.1385 0.3385
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0038 0.0629 0.5
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0096 0.2382 0.832
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.1465 0.3743
Schistosoma mansoni 6-phosphofructokinase 0.0112 0.2863 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0063 0.1369 0.3716
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0098 0.242 0.3537
Trichomonas vaginalis inositol monophosphatase, putative 0.0038 0.0629 0.0917
Onchocerca volvulus Heterochromatin protein 1 homolog 0.004 0.0695 0.1014
Onchocerca volvulus 0.002 0.0093 0.0135
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0105 0.2641 1
Brugia malayi Heterochromatin protein 1 0.0072 0.1648 0.2409
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0393 0.0573
Echinococcus granulosus chromobox protein 1 0.0072 0.1648 0.1648
Brugia malayi phosphofructokinase 0.0112 0.2863 0.4185
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0408 0.1425
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0112 0.2863 1
Schistosoma mansoni cellular tumor antigen P53 0.0051 0.1019 0.3558
Loa Loa (eye worm) hypothetical protein 0.0244 0.6842 1
Trichomonas vaginalis chromobox protein, putative 0.0072 0.1648 0.2404
Echinococcus granulosus chromobox protein 1 0.0072 0.1648 0.1648
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0629 0.2196
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0393 0.0573
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0215 0.5959 0.871
Plasmodium vivax 6-phosphofructokinase, putative 0.003 0.0393 0.1488
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0629 0.2196
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0629 0.2196
Toxoplasma gondii phosphofructokinase domain-containing protein 0.003 0.0393 0.1488
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.242 0.353
Plasmodium falciparum LCCL domain-containing protein 0.002 0.0093 0.0351
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0096 0.2382 0.3482
Onchocerca volvulus 0.0032 0.0432 0.063
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.242 0.353
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0063 0.1385 0.4838
Schistosoma mansoni survival motor neuron protein 0.005 0.098 0.3424
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0408 0.0408
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0105 0.2641 0.3853
Echinococcus multilocularis RUN 0.002 0.0093 0.0093
Mycobacterium ulcerans 6-phosphofructokinase 0.0112 0.2863 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0629 0.0917
Brugia malayi Inositol-1 0.0038 0.0629 0.0919
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0096 0.2382 0.2382
Brugia malayi serine/threonine-protein kinase plk-2 0.0098 0.242 0.3537
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.034 0.0495
Loa Loa (eye worm) 6-phosphofructokinase 0.0112 0.2863 0.4185
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0063 0.1385 0.1385
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0408 0.1425
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0105 0.2641 0.3853
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0629 0.0917
Toxoplasma gondii aldehyde dehydrogenase 0.0063 0.1369 0.5185
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0112 0.2863 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0408 0.1546
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0787 0.1148
Leishmania major cathepsin L-like protease 0.0066 0.1465 0.5117
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0098 0.242 0.8452
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0393 0.0573
Echinococcus multilocularis chromobox protein 1 0.0072 0.1648 0.1648
Echinococcus multilocularis 6 phosphofructokinase 0.0112 0.2863 0.2863
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0096 0.2382 0.7847
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.1369 0.3314
Entamoeba histolytica phosphofructokinase, putative 0.0112 0.2863 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0408 0.0597
Loa Loa (eye worm) heterochromatin protein 1 0.0072 0.1648 0.2409
Brugia malayi hypothetical protein 0.002 0.0093 0.0135
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0057 0.1198 0.1198
Brugia malayi 6-phosphofructokinase 0.0112 0.2863 0.4185
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.242 0.353
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.1465 0.3743
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0105 0.2641 1
Echinococcus granulosus survival motor neuron protein 1 0.0244 0.6842 0.6842
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.098 0.1433
Schistosoma mansoni inositol monophosphatase 0.0038 0.0629 0.2196
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.1465 0.3743
Brugia malayi hypothetical protein 0.0244 0.6842 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0695 0.1015
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0093 0.0093
Trichomonas vaginalis 6-phosphofructokinase, putative 0.003 0.0393 0.0573
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0105 0.2641 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0057 0.1198 0.1198
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.0031 0.0413 0.1442
Giardia lamblia Kinase, PLK 0.0098 0.242 0.9017
Schistosoma mansoni lipoxygenase 0.002 0.0093 0.0323
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.1465 0.3743
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0093 0.0093
Leishmania major cathepsin L-like protease 0.0066 0.1465 0.5117
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0043 0.0763 0.2666
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0063 0.1369 0.1369
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.242 0.353
Schistosoma mansoni hypothetical protein 0.005 0.098 0.3424
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0063 0.1385 0.2025

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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