Detailed information for compound 1860509

Basic information

Technical information
  • TDR Targets ID: 1860509
  • Name: 5-cyclohexyl-4-[(3-fluorophenyl)methylideneam ino]-2H-1,2,4-triazole-3-thione
  • MW: 304.386 | Formula: C15H17FN4S
  • H donors: 0 H acceptors: 2 LogP: 3.94 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1)/C=N/n1c(S)nnc1C1CCCCC1
  • InChi: 1S/C15H17FN4S/c16-13-8-4-5-11(9-13)10-17-20-14(18-19-15(20)21)12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7H2,(H,19,21)/b17-10+
  • InChiKey: UKCFOMQAMHSBGE-LICLKQGHSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-cyclohexyl-4-[(3-fluorophenyl)methyleneamino]-2H-1,2,4-triazole-3-thione
  • 5-cyclohexyl-4-[(3-fluorobenzylidene)amino]-2H-1,2,4-triazole-3-thione
  • ST041476
  • STOCK3S-27426
  • ZINC00028842

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Trypanosoma brucei hypothetical protein, conserved Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania major hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania donovani HpcH/HpaI aldolase/citrate lyase family, putative Get druggable targets OG5_146801 All targets in OG5_146801
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense HpcH/HpaI aldolase/citrate lyase family, putative Get druggable targets OG5_146801 All targets in OG5_146801
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
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
Loa Loa (eye worm) hypothetical protein 0.0029 0.0422 0.0335
Loa Loa (eye worm) hypothetical protein 0.0099 0.3026 0.3373
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0029 0.0422 0.0831
Loa Loa (eye worm) hypothetical protein 0.0049 0.1173 0.1211
Trichomonas vaginalis antibiotic synthetase, putative 0.0029 0.0422 0.024
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0029 0.0422 0.0831
Echinococcus multilocularis zinc finger protein 0.0024 0.0221 0.0592
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0957 0.4427
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0029 0.0422 0.0831
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0029 0.0422 0.0831
Loa Loa (eye worm) hypothetical protein 0.0074 0.2094 0.2286
Entamoeba histolytica acyl-coA synthetase, putative 0.0099 0.3026 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0099 0.3026 0.3373
Trypanosoma cruzi hypothetical protein, conserved 0.0257 0.8914 1
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0422 0.0485
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.1451 0.6587
Mycobacterium ulcerans acetyl-CoA synthetase 0.0029 0.0422 0.0831
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0029 0.0422 0.0831
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0029 0.0422 0.0831
Trichomonas vaginalis set domain proteins, putative 0.0286 1 1
Schistosoma mansoni ap endonuclease 0.0023 0.0186 0.0731
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0029 0.0422 0.0831
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0029 0.0422 0.0485
Mycobacterium ulcerans O-succinylbenzoic acid--CoA ligase 0.0029 0.0422 0.0831
Schistosoma mansoni zinc finger protein 0.0024 0.0221 0.0891
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0099 0.3026 1
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0029 0.0422 0.4744
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0029 0.0422 0.0335
Plasmodium vivax acetyl-CoA synthetase, putative 0.0029 0.0422 0.1236
Loa Loa (eye worm) oxidoreductase 0.0029 0.0422 0.0335
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0355 0.1287
Mycobacterium ulcerans acyl-CoA synthetase 0.0099 0.3026 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0186 0.0178
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0957 0.4427
Trypanosoma cruzi hypothetical protein, conserved 0.0257 0.8914 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0422 0.0831
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0029 0.0422 0.0335
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0099 0.3026 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0099 0.3026 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0074 0.2094 0.6718
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0362 0.3537
Entamoeba histolytica acyl-CoA synthetase, putative 0.0099 0.3026 1
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0029 0.0422 0.0831
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0362 0.0376
Echinococcus granulosus histone lysine methyltransferase setb 0.0057 0.1451 0.7
Schistosoma mansoni ap endonuclease 0.0023 0.0186 0.0731
Mycobacterium ulcerans hypothetical protein 0.0099 0.3026 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0634 0.2743
Leishmania major 4-coumarate:coa ligase-like protein 0.0099 0.3026 0.3373
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0029 0.0422 0.0831
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0269 0.0156
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0683 0.3033
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.2027 1
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0029 0.0422 0.0831
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0029 0.0422 0.0443
Brugia malayi Pre-SET motif family protein 0.0036 0.0683 0.0785
Brugia malayi Bromodomain containing protein 0.0091 0.2715 0.3119
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.003 0.0443 0.0466
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0029 0.0422 0.1236
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0029 0.0422 0.0831
Mycobacterium ulcerans hypothetical protein 0.003 0.0443 0.0902
Loa Loa (eye worm) hypothetical protein 0.0027 0.0362 0.0265
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0029 0.0422 0.4744
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.003 0.0443 0.0902
Loa Loa (eye worm) hypothetical protein 0.0046 0.1067 0.1087
Echinococcus granulosus zinc finger protein 0.0024 0.0221 0.0592
Entamoeba histolytica acyl-CoA synthetase, putative 0.0099 0.3026 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0355 0.151
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0422 0.0831
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0099 0.3026 1
Toxoplasma gondii propionate-CoA ligase 0.0029 0.0422 0.4744
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0186 0.5
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.003 0.0443 0.0466
Schistosoma mansoni bromodomain containing protein 0.0076 0.2188 1
Brugia malayi Bromodomain containing protein 0.0046 0.1064 0.1222
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0362 0.0922
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.2027 1
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0422 0.0485
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0422 0.0485
Leishmania major 4-coumarate:coa ligase-like protein 0.0099 0.3026 0.3373
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0057 0.1451 0.7
Mycobacterium ulcerans hypothetical protein 0.003 0.0443 0.0902
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0422 0.0485
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0186 0.0178
Trypanosoma brucei hypothetical protein, conserved 0.0257 0.8914 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0186 0.0411
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0029 0.0422 0.0831
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0029 0.0422 0.0443
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0186 0.0178
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0074 0.2094 0.6718
Loa Loa (eye worm) hypothetical protein 0.0074 0.2094 0.2286
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0029 0.0422 0.0443
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0029 0.0422 0.0443
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0029 0.0422 0.0443
Loa Loa (eye worm) hypothetical protein 0.0074 0.2094 0.2286
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0029 0.0422 0.164
Schistosoma mansoni acetyl-CoA synthetase 0.0029 0.0422 0.1823
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0422 0.0831
Mycobacterium tuberculosis PROBABLE FATTY-ACID-CoA LIGASE FADD18 (FRAGMENT) (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0272 0.0301
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0029 0.0422 0.0831
Brugia malayi Pre-SET motif family protein 0.0251 0.8706 1
Plasmodium vivax SET domain protein, putative 0.0036 0.0683 0.2606
Loa Loa (eye worm) hypothetical protein 0.0029 0.0422 0.0335
Brugia malayi AMP-binding enzyme family protein 0.0099 0.3026 0.3476
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.007 0.1944 0.6189
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0029 0.0422 0.0831
Plasmodium falciparum acyl-CoA synthetase 0.0074 0.2094 1
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0029 0.0422 0.0831
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.8706 1
Trichomonas vaginalis Citrate lyase beta chain, putative 0.003 0.0443 0.0261
Leishmania major acetyl-CoA synthetase, putative 0.0029 0.0422 0.0443
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0186 0.006
Loa Loa (eye worm) hypothetical protein 0.0099 0.3026 0.3373
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0099 0.3026 1
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0186 0.0214
Loa Loa (eye worm) hypothetical protein 0.0085 0.2523 0.2786
Leishmania major hypothetical protein, conserved 0.0027 0.0362 0.0376
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0029 0.0422 0.0485
Mycobacterium ulcerans acyl-CoA synthetase 0.0099 0.3026 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0108 0.0366
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.1451 0.6587
Brugia malayi PHD-finger family protein 0.003 0.0461 0.053
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0186 0.0178
Echinococcus multilocularis citrate lyase subunit beta protein 0.003 0.0443 0.1746
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0029 0.0422 0.164
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0422 0.0831
Loa Loa (eye worm) hypothetical protein 0.0099 0.3026 0.3373
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0074 0.2094 0.5
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0186 0.0411
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0683 0.3001
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.007 0.1944 0.6189
Onchocerca volvulus 0.0036 0.0683 0.0273
Loa Loa (eye worm) hypothetical protein 0.0052 0.1259 0.1312
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0362 0.0376
Plasmodium vivax acyl-CoA synthetase, putative 0.0074 0.2094 1
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0362 0.0376
Onchocerca volvulus 0.0099 0.3026 0.2718
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0422 0.0831
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0029 0.0422 0.0443
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0186 0.5
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0099 0.3026 1
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0029 0.0422 0.0831
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.003 0.0443 0.0902
Brugia malayi AMP-binding enzyme family protein 0.0099 0.3026 0.3476
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0186 0.5
Echinococcus granulosus citrate lyase subunit beta protein 0.003 0.0443 0.1746
Loa Loa (eye worm) hypothetical protein 0.0074 0.2094 0.2286
Brugia malayi hypothetical protein 0.0027 0.0362 0.0416
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0362 0.0922
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0099 0.3026 1
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.003 0.0443 0.0466
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.003 0.0443 0.0902
Schistosoma mansoni hypothetical protein 0.0025 0.0269 0.1112
Leishmania major hypothetical protein, conserved 0.0257 0.8914 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0099 0.3026 1
Trichomonas vaginalis antibiotic synthetase, putative 0.0029 0.0422 0.024
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0355 0.1287
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0029 0.0422 0.0443
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.007 0.1944 0.6189
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0683 0.3033
Loa Loa (eye worm) hypothetical protein 0.0057 0.1451 0.1535
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0108 0.0366
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0422 0.0831
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0099 0.3026 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0422 0.0831
Brugia malayi AMP-binding enzyme family protein 0.0099 0.3026 0.3476
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0422 0.0831
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0029 0.0422 0.0831
Mycobacterium tuberculosis Conserved protein 0.003 0.0443 0.0902
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0362 0.0922
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0683 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0029 0.0422 0.0831
Leishmania major acetyl-CoA synthetase, putative 0.0029 0.0422 0.0443
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.007 0.1944 0.6189
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.003 0.0443 0.0902
Loa Loa (eye worm) hypothetical protein 0.0074 0.2094 0.2286
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0029 0.0422 0.0831

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1683 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.3162 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) 0.3696 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) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 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) 35.4813 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

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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