Detailed information for compound 625153

Basic information

Technical information
  • TDR Targets ID: 625153
  • Name: N-[[4-(4-methoxyphenyl)-5-sulfanylidene-1H-1, 2,4-triazol-3-yl]methyl]thiophene-2-carboxami de
  • MW: 346.427 | Formula: C15H14N4O2S2
  • H donors: 1 H acceptors: 3 LogP: 2.36 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)n1c(CNC(=O)c2cccs2)nnc1S
  • InChi: 1S/C15H14N4O2S2/c1-21-11-6-4-10(5-7-11)19-13(17-18-15(19)22)9-16-14(20)12-3-2-8-23-12/h2-8H,9H2,1H3,(H,16,20)(H,18,22)
  • InChiKey: ISDHIIZDAICTJY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[[4-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide
  • N-[[4-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-2-thiophenecarboxamide
  • EU-0004030
  • MLS000723530
  • N-{[4-(4-methoxyphenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide
  • SMR000305125
  • Oprea1_419720

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), beta Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma brucei gambiense mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma brucei mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative polymerase (DNA directed), beta 335 aa 303 aa 32.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica hypothetical protein 0.0036 0.0284 0.0878
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.06 0.0574
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.003 0.0153 0.0196
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD6 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0367 0.7788 1
Schistosoma mansoni FFA transport protein 0.0374 0.7941 1
Loa Loa (eye worm) beta-lactamase 0.0036 0.027 0.0235
Brugia malayi hypothetical protein 0.005 0.06 0.0565
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.003 0.0153 0.0196
Loa Loa (eye worm) hypothetical protein 0.0036 0.027 0.0235
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.003 0.0153 0.0196
Echinococcus multilocularis Niemann Pick C1 protein 0.0096 0.1645 0.1614
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.027 0.0203
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0032 0.02 0.0257
Mycobacterium ulcerans acyl-CoA synthetase 0.0063 0.0889 0.0885
Plasmodium falciparum acetyl-CoA synthetase, putative 0.003 0.0153 0.1075
Mycobacterium ulcerans lipase LipD 0.0036 0.027 0.0141
Loa Loa (eye worm) AMP-binding enzyme family protein 0.003 0.0153 0.0117
Brugia malayi Fli-1 protein 0.0214 0.4323 0.4303
Plasmodium falciparum ataxin-2 like protein, putative 0.005 0.06 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0039 0.0353 0.5068
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0284 0.0313
Brugia malayi Niemann-Pick C1 protein precursor 0.0096 0.1645 0.1614
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0095 0.1612 0.1582
Entamoeba histolytica acyl-CoA synthetase, putative 0.0063 0.0889 0.4938
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.003 0.0153 0.0771
Loa Loa (eye worm) hypothetical protein 0.0036 0.027 0.0235
Plasmodium vivax hypothetical protein, conserved 0.0036 0.027 0.3424
Onchocerca volvulus 0.0063 0.0889 0.127
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.3379 0.4226
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0039 0.0353 0.0453
Leishmania major hypothetical protein, conserved 0.005 0.06 0.0586
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0063 0.0889 0.0965
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.027 0.0235
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.027 0.0347
Loa Loa (eye worm) hypothetical protein 0.006 0.0832 0.0798
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0062 0.0881 0.0935
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0281 0.0245
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.027 0.0235
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.3822 0.4907
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0063 0.0889 0.0965
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0399 0.0364
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0039 0.0353 0.5
Brugia malayi Importin beta-1 subunit 0.0028 0.0099 0.0062
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0032 0.02 0.0257
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.027 0.0203
Plasmodium falciparum ataxin-2 like protein, putative 0.005 0.06 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0353 0.0317
Loa Loa (eye worm) hypothetical protein 0.0028 0.0099 0.0062
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0063 0.0889 0.0885
Brugia malayi hypothetical protein 0.0036 0.0284 0.0248
Schistosoma mansoni survival motor neuron protein 0.0095 0.1612 0.1994
Mycobacterium tuberculosis Conserved protein 0.0036 0.027 0.0347
Schistosoma mansoni importin beta-1 0.0028 0.0099 0.0079
Leishmania major 4-coumarate:coa ligase-like protein 0.0063 0.0889 0.0965
Mycobacterium leprae possible long-chain acyl-CoA synthase 0.0367 0.7788 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0039 0.0353 0.024
Echinococcus granulosus Niemann Pick C1 protein 0.0096 0.1645 0.1614
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0473 0.0438
Loa Loa (eye worm) hypothetical protein 0.005 0.06 0.0565
Entamoeba histolytica hypothetical protein 0.0036 0.0284 0.0878
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0281 0.0309
Onchocerca volvulus 0.0286 0.5953 1
Mycobacterium ulcerans hypothetical protein 0.0036 0.027 0.0141
Loa Loa (eye worm) hypothetical protein 0.0048 0.0553 0.0519
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0227 0.462 0.5932
Loa Loa (eye worm) hypothetical protein 0.0036 0.027 0.0235
Schistosoma mansoni hypothetical protein 0.0299 0.6248 0.7858
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0627 0.0609
Brugia malayi MH2 domain containing protein 0.0371 0.7878 0.787
Loa Loa (eye worm) hypothetical protein 0.0041 0.0399 0.0364
Loa Loa (eye worm) hypothetical protein 0.0051 0.061 0.0576
Loa Loa (eye worm) hypothetical protein 0.0063 0.0889 0.0856
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.027 0.0296
Mycobacterium tuberculosis Conserved protein 0.0036 0.027 0.0347
Toxoplasma gondii hypothetical protein 0.0059 0.0798 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0371 0.7878 0.787
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.003 0.0153 0.0117
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0063 0.0889 0.0885
Echinococcus granulosus GA binding protein alpha chain 0.0071 0.1064 0.1031
Loa Loa (eye worm) hypothetical protein 0.0039 0.0353 0.0317
Onchocerca volvulus 0.0048 0.0553 0.0691
Mycobacterium leprae conserved hypothetical protein 0.0036 0.027 0.0154
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.027 0.0203
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.027 0.0235
Loa Loa (eye worm) hypothetical protein 0.003 0.0153 0.0117
Schistosoma mansoni acetyl-CoA synthetase 0.003 0.0153 0.0147
Leishmania major 4-coumarate:coa ligase-like protein 0.0063 0.0889 0.0965
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.027 0.0141
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.027 0.0296
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.027 0.0347
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0281 0.0245
Schistosoma mansoni hypothetical protein 0.0095 0.1612 0.1994
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0473 0.0438
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0281 0.0309
Trichomonas vaginalis esterase, putative 0.0036 0.027 0.0203
Plasmodium vivax ataxin-2 like protein, putative 0.005 0.06 1
Schistosoma mansoni hypothetical protein 0.004 0.0366 0.0416
Echinococcus granulosus long chain fatty acid transport protein 4 0.0374 0.7941 0.7934
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0473 0.0552
Leishmania major hypothetical protein, conserved 0.0036 0.027 0.0154
Trypanosoma brucei acetyl-CoA synthetase, putative 0.003 0.0153 0.0071
Loa Loa (eye worm) hypothetical protein 0.0036 0.0281 0.0245
Loa Loa (eye worm) hypothetical protein 0.0039 0.0353 0.0317
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.3379 0.4143
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0553 0.0654
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0399 0.0364
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0063 0.0889 0.0885
Onchocerca volvulus 0.0095 0.1612 0.2517
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0281 0.0309
Brugia malayi beta-lactamase 0.0036 0.027 0.0235
Echinococcus granulosus snurportin 1 0.0299 0.6248 0.6234
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0063 0.0889 0.1142
Mycobacterium tuberculosis Conserved protein 0.0036 0.027 0.0347
Echinococcus multilocularis protein dispatched 1 0.0047 0.0532 0.0497
Brugia malayi AMP-binding enzyme family protein 0.0063 0.0889 0.0856
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.027 0.0203
Toxoplasma gondii propionate-CoA ligase 0.003 0.0153 0.0771
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.027 0.0347
Loa Loa (eye worm) transcription factor SMAD2 0.0371 0.7878 0.787
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0399 0.0425
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0281 0.0245
Echinococcus granulosus geminin 0.0164 0.3177 0.3152
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0627 0.0609
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0284 0.0248
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.027 0.0347
Loa Loa (eye worm) hypothetical protein 0.0096 0.1645 0.1614
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0032 0.02 0.0257
Echinococcus multilocularis snurportin 1 0.0299 0.6248 0.6234
Plasmodium vivax SET domain protein, putative 0.0036 0.0281 0.3639
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0627 0.0609
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.003 0.0153 0.0196
Loa Loa (eye worm) oxidoreductase 0.003 0.0153 0.0117
Loa Loa (eye worm) hypothetical protein 0.0036 0.027 0.0235
Entamoeba histolytica hypothetical protein 0.0036 0.0284 0.0878
Brugia malayi beta-lactamase family protein 0.0036 0.027 0.0235
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0284 0.0248
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0399 0.0364
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0473 0.0552
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.027 0.0225
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0281 0.0309
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0032 0.02 0.0257
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.7738 0.9739
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.027 0.0141
Brugia malayi AMP-binding enzyme family protein 0.0063 0.0889 0.0856
Schistosoma mansoni hypothetical protein 0.004 0.0366 0.0416
Mycobacterium ulcerans hypothetical protein 0.0063 0.0889 0.0885
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0096 0.1645 1
Schistosoma mansoni hypothetical protein 0.0036 0.0284 0.0313
Loa Loa (eye worm) hypothetical protein 0.0039 0.0353 0.0317
Trichomonas vaginalis set domain proteins, putative 0.0286 0.5953 1
Brugia malayi acetyl-Coenzyme A synthetase 2 0.003 0.0153 0.0117
Trypanosoma cruzi fatty acid transporter protein-like, putative 0.0374 0.7941 1
Brugia malayi AMP-binding enzyme family protein 0.003 0.0153 0.0117
Onchocerca volvulus 0.0036 0.0281 0.0221
Leishmania major mitochondrial DNA polymerase beta 0.0365 0.7738 0.9934
Mycobacterium ulcerans hypothetical protein 0.0192 0.3822 0.4407
Brugia malayi AMP-binding enzyme family protein 0.0397 0.8478 0.8472
Echinococcus granulosus Niemann Pick C1 protein 0.0137 0.2581 0.2554
Mycobacterium ulcerans acyl-CoA synthetase 0.0063 0.0889 0.0885
Toxoplasma gondii ABC1 family protein 0.0036 0.027 0.2454
Echinococcus multilocularis GA binding protein alpha chain 0.0071 0.1064 0.1031
Loa Loa (eye worm) hypothetical protein 0.003 0.0153 0.0117
Trypanosoma brucei PAB1-binding protein , putative 0.005 0.06 0.0656
Onchocerca volvulus 0.0036 0.027 0.0203
Brugia malayi RNA, U transporter 1 0.008 0.1271 0.1239
Brugia malayi AMP-binding enzyme family protein 0.0063 0.0889 0.0856
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.027 0.0151
Brugia malayi Pre-SET motif family protein 0.0251 0.5166 0.5148
Loa Loa (eye worm) fli-1 protein 0.0214 0.4323 0.4303
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0299 0.6248 0.6234
Loa Loa (eye worm) hypothetical protein 0.0063 0.0889 0.0856
Loa Loa (eye worm) hypothetical protein 0.0464 1 1
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0099 0.0062
Schistosoma mansoni hypothetical protein 0.0164 0.3177 0.3973
Echinococcus granulosus survival motor neuron protein 1 0.0464 1 1
Trypanosoma cruzi fatty acid transporter protein-like, putative 0.0374 0.7941 1
Echinococcus granulosus importin subunit beta 1 0.0028 0.0099 0.0062
Schistosoma mansoni gabp alpha 0.0071 0.1064 0.13
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0397 0.8478 0.8472
Onchocerca volvulus 0.0036 0.027 0.0203
Loa Loa (eye worm) hypothetical protein 0.0036 0.027 0.0235
Loa Loa (eye worm) hypothetical protein 0.0036 0.027 0.0235
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0473 0.0438
Brugia malayi Pre-SET motif family protein 0.0036 0.0281 0.0245
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0473 0.0552
Schistosoma mansoni hypothetical protein 0.004 0.0366 0.0416
Plasmodium vivax acetyl-CoA synthetase, putative 0.003 0.0153 0.1075
Echinococcus multilocularis long chain fatty acid transport protein 4 0.0374 0.7941 0.7934
Toxoplasma gondii LsmAD domain-containing protein 0.005 0.06 0.7167
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.003 0.0153 0.0117
Leishmania major fatty acid transporter protein-like protein 0.0367 0.7788 1
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.027 0.0347
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.003 0.0153 0.0196
Brugia malayi AMP-binding enzyme family protein 0.003 0.0153 0.0117
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.003 0.0153 0.0196
Brugia malayi AMP-binding enzyme family protein 0.003 0.0153 0.0117
Loa Loa (eye worm) hypothetical protein 0.0063 0.0889 0.0856
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0063 0.0889 0.1142
Mycobacterium ulcerans beta-lactamase 0.0036 0.027 0.0141
Echinococcus multilocularis protein patched 0.0041 0.0399 0.0364
Brugia malayi CHE-14 protein 0.0041 0.0399 0.0364
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.003 0.0153 0.0071
Mycobacterium leprae Probable lipase LipE 0.0036 0.027 0.0154
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.003 0.0153 0.0196
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.06 0.0574
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0473 0.0438
Schistosoma mansoni ets-related 0.0214 0.4323 0.5423
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0473 0.0438
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.003 0.0153 0.0196
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.003 0.0153 0.0196
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.5166 0.5148
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0473 0.0438
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.027 0.0347
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0063 0.0889 0.0885
Schistosoma mansoni hypothetical protein 0.0164 0.3177 0.3973
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0051 0.0627 0.0691
Entamoeba histolytica hypothetical protein 0.0036 0.0284 0.0878
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.027 0.0203
Mycobacterium ulcerans acyl-CoA synthetase 0.0063 0.0889 0.0885
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.003 0.0153 0.0117
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0071 0.1064 0.1031
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0098 0.1679 0.2077
Echinococcus multilocularis tumor protein p63 0.0328 0.6911 0.69
Entamoeba histolytica acyl-CoA synthetase, putative 0.0063 0.0889 0.4938
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.027 0.0235
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 0.7738 1
Brugia malayi hypothetical protein 0.0032 0.0197 0.0161
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.027 0.0347
Echinococcus multilocularis Niemann Pick C1 protein 0.0137 0.2581 0.2554
Echinococcus multilocularis expressed conserved protein 0.009 0.1513 0.1481
Echinococcus multilocularis survival motor neuron protein 1 0.0464 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.027 0.0151
Entamoeba histolytica acyl-coA synthetase, putative 0.0063 0.0889 0.4938
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.003 0.0153 0.0196
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0173 0.3379 0.4294
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.7738 0.9739
Loa Loa (eye worm) hypothetical protein 0.0039 0.0353 0.0317
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0251 0.0215
Echinococcus granulosus tumor protein p63 0.0328 0.6911 0.69
Echinococcus multilocularis geminin 0.0164 0.3177 0.3152
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0399 0.0364
Schistosoma mansoni hypothetical protein 0.004 0.0366 0.0416
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0397 0.8478 1
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.003 0.0153 0.0771
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.003 0.0153 0.0196
Brugia malayi beta-lactamase family protein 0.0036 0.027 0.0235
Onchocerca volvulus 0.0036 0.027 0.0203
Plasmodium falciparum acyl-CoA synthetase 0.0039 0.0353 0.5068
Schistosoma mansoni patched 1 0.0041 0.0399 0.0459
Leishmania major 4-coumarate:coa ligase-like protein 0.0063 0.0889 0.0965
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0281 0.2608
Brugia malayi Ets-domain containing protein 0.0071 0.1064 0.1031
Brugia malayi Ets-domain containing protein 0.0071 0.1064 0.1031
Echinococcus granulosus expressed conserved protein 0.009 0.1513 0.1481

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.3696 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 23.1093 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) 25.1189 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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.
 
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.

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