Detailed information for compound 1611637

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 197.686 | Formula: C5H12ClN3OS
  • H donors: 2 H acceptors: 1 LogP: 0.39 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=N)SCC(C(=O)N)C.Cl
  • InChi: 1S/C5H11N3OS.ClH/c1-3(4(6)9)2-10-5(7)8;/h3H,2H2,1H3,(H2,6,9)(H3,7,8);1H
  • InChiKey: FQFWGOIVNPPQJA-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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
Loa Loa (eye worm) hypothetical protein 0.0035 0.0094 0.0078
Mycobacterium ulcerans quinone oxidoreductase 0.0078 0.0274 0.0318
Chlamydia trachomatis acyl carrier protein 0.0126 0.0481 0.2016
Mycobacterium ulcerans polyketide synthase MbtC 0.0314 0.1276 0.1595
Schistosoma mansoni [ACP] S-malonyltransferase 0.0079 0.028 0.1679
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.1007 0.4213 0.5295
Mycobacterium ulcerans hypothetical protein 0.0035 0.0094 0.0088
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0025 0.0194
Toxoplasma gondii type I fatty acid synthase, putative 0.1329 0.5579 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0025 0.0194
Schistosoma mansoni [ACP] S-malonyltransferase 0.0079 0.028 0.1679
Loa Loa (eye worm) SRC-1 0.0038 0.0108 0.0094
Onchocerca volvulus 0.0126 0.0481 0.0441
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0038 0.0108 0.0663
Mycobacterium leprae conserved hypothetical protein 0.0126 0.0481 0.0497
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0179 0.0705 0.4269
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0038 0.0108 0.0663
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0094 0.0088
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.1007 0.4213 0.5337
Toxoplasma gondii acyl carrier protein ACP 0.0126 0.0481 0.0705
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0064 0.0044
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0038 0.0108 0.0663
Brugia malayi acyl carrier protein, mitochondrial precursor, putative 0.0126 0.0481 0.0457
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.1252 0.525 0.6657
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0078 0.0274 0.1644
Mycobacterium tuberculosis Possible dehydrogenase 0.0078 0.0274 0.0318
Plasmodium falciparum acyl carrier protein 0.0126 0.0481 0.2016
Echinococcus granulosus tyrosine protein kinase Fyn 0.0038 0.0108 0.0663
Brugia malayi SRC-1 0.0038 0.0108 0.0083
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0078 0.0274 0.1994
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD dependent AdhB 0.0078 0.0274 0.0318
Chlamydia trachomatis 3-oxoacyl-ACP synthase 0.0314 0.1276 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.0274 0.0283
Echinococcus multilocularis Malonyl coenzyme A acyl carrier protein transacylase 0.0079 0.028 0.2037
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0126 0.0481 0.0581
Mycobacterium ulcerans acyl carrier protein 0.0126 0.0481 0.0581
Loa Loa (eye worm) alcohol dehydrogenase class III 0.0078 0.0274 0.0283
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.1007 0.4213 0.5337
Mycobacterium ulcerans zinc-type alcohol dehydrogenase AdhD 0.0078 0.0274 0.0318
Schistosoma mansoni acyl carrier protein 0.0126 0.0481 0.3003
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0094 0.0455
Onchocerca volvulus 0.2178 0.9178 0.9651
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0038 0.0108 0.0663
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0094 0.0088
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0025 0.0194
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0126 0.0481 0.0581
Echinococcus granulosus tyrosine protein kinase Src64B 0.0038 0.0108 0.0663
Trypanosoma cruzi Acyl carrier protein, mitochondrial, putative 0.0126 0.0481 0.3643
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0314 0.1276 1
Mycobacterium ulcerans oxidoreductase 0.0078 0.0274 0.0318
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0025 0.0194
Mycobacterium tuberculosis Probable acyl carrier protein AcpA (ACP) 0.0126 0.0481 0.0581
Mycobacterium tuberculosis Probable zinc-type alcohol dehydrogenase AdhD (aldehyde reductase) 0.0078 0.0274 0.0318
Mycobacterium tuberculosis Probable polyketide synthase Pks17 0.0306 0.1241 0.155
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0314 0.1276 0.1595
Onchocerca volvulus Putative alcohol dehydrogenase 0.0078 0.0274 0.0223
Brugia malayi beta-lactamase 0.0035 0.0094 0.0069
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0094 0.0736
Mycobacterium tuberculosis Acyl carrier protein (ACP) MbtL 0.0126 0.0481 0.0581
Echinococcus granulosus Malonyl coenzyme A acyl carrier protein transacylase 0.0079 0.028 0.2037
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.1252 0.525 0.5238
Onchocerca volvulus 0.0078 0.0274 0.0223
Mycobacterium leprae Probable fatty-acid-CoA ligase FadD9 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0126 0.0481 0.0497
Loa Loa (eye worm) hypothetical protein 0.0192 0.0759 0.0831
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0314 0.1276 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0025 0.0194
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.1252 0.525 0.6657
Schistosoma mansoni alcohol dehydrogenase 0.0078 0.0274 0.1644
Leishmania major quinone oxidoreductase, putative 0.0078 0.0274 0.1644
Entamoeba histolytica NADP-dependent alcohol dehydrogenase, putative 0.0078 0.0274 0.5475
Mycobacterium leprae PROBABLE NADP-DEPENDENT ALCOHOL DEHYDROGENASE ADHC 0.0078 0.0274 0.0232
Mycobacterium tuberculosis Polyketide synthetase MbtD (polyketide synthase) 0.0385 0.1576 0.1976
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.1213 0.5087 0.645
Loa Loa (eye worm) hypothetical protein 0.0078 0.0274 0.0283
Toxoplasma gondii acyl transferase domain-containing protein 0.0079 0.028 0.0339
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0025 0.0194
Mycobacterium tuberculosis Conserved protein 0.0035 0.0094 0.0088
Mycobacterium ulcerans hypothetical protein 0.0126 0.0481 0.0581
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0094 0.0088
Onchocerca volvulus Fatty acid synthase homolog 0.2256 0.9508 1
Mycobacterium leprae PROBABLE FATTY ACID SYNTHASE FAS (FATTY ACID SYNTHETASE) 0.0393 0.1611 0.195
Schistosoma mansoni [ACP] S-malonyltransferase 0.0079 0.028 0.1679
Trypanosoma cruzi nuclear receptor binding factor, putative 0.0078 0.0274 0.1994
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0078 0.0274 0.1644
Brugia malayi Methyltransferase-like protein 4 0.0377 0.1543 0.1522
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0038 0.0108 0.0663
Onchocerca volvulus 0.0035 0.0094 0.0032
Leishmania major beta-ketoacyl synthase family protein, putative,3-oxoacyl-acyl carrier protein synthase ii, putative 0.0314 0.1276 0.8244
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD-dependent AdhB 0.0078 0.0274 0.0318
Mycobacterium ulcerans thioesterase 0.1043 0.4366 0.553
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0025 0.0194
Loa Loa (eye worm) beta-ketoacyl synthase domain-containing protein 0.0314 0.1276 0.1417
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0025 0.0194
Mycobacterium ulcerans acyl-CoA synthetase 0.0126 0.0481 0.0581
Mycobacterium tuberculosis Conserved protein 0.0377 0.1543 0.1934
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0094 0.0552
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.017 0.0139
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0078 0.0274 0.1994
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0094 0.0455
Brugia malayi Alcohol dehydrogenase class III 0.0078 0.0274 0.025
Mycobacterium ulcerans Type I modular polyketide synthase 0.1252 0.525 0.6657
Mycobacterium ulcerans oxidoreductase 0.0078 0.0274 0.0318
Mycobacterium leprae Polyketide synthase Pks13 0.1871 0.7874 1
Echinococcus granulosus 3 oxoacyl acyl carrier protein synthase 0.0314 0.1276 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0094 0.0455
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0025 0.0194
Echinococcus granulosus NADH dehydrogenase 0.0126 0.0481 0.3643
Brugia malayi Phosphopantetheine attachment site family protein 0.0126 0.0481 0.0457
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] synthase i/ii, putative 0.0314 0.1276 1
Giardia lamblia Methyltransferase like 2 0.0377 0.1543 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0038 0.0108 0.0663
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0038 0.0108 0.0663
Echinococcus multilocularis NADH dehydrogenase 0.0126 0.0481 0.3643
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0038 0.0108 0.0663
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0828 0.3453 0.4318
Trypanosoma cruzi oxidoreductase, putative 0.0078 0.0274 0.1994
Loa Loa (eye worm) hypothetical protein 0.0192 0.0759 0.0831
Trypanosoma cruzi acyl transferase-like protein 0.0079 0.028 0.2037
Schistosoma mansoni cpg binding protein 0.003 0.0071 0.0301
Echinococcus multilocularis mitochondrial trans 2 enoyl coenzyme A reductase 0.0078 0.0274 0.1994
Treponema pallidum acyl carrier protein 0.0126 0.0481 0.5
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0314 0.1276 0.1595
Mycobacterium ulcerans NADP-dependent alcohol dehydrogenase AdhC 0.0078 0.0274 0.0318
Leishmania major zinc binding dehydrogenase-like protein 0.0078 0.0274 0.1644
Loa Loa (eye worm) hypothetical protein 0.0079 0.028 0.0289
Mycobacterium ulcerans NADPH quinone oxidoreductase FadB4 0.0078 0.0274 0.0318
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.1329 0.5579 0.7077
Mycobacterium ulcerans polyketide synthase Pks13 0.1871 0.7874 1
Trypanosoma brucei Acyl carrier protein, mitochondrial 0.0126 0.0481 0.3766
Leishmania major hypothetical protein, conserved 0.0079 0.028 0.1679
Schistosoma mansoni zinc binding dehydrogenase 0.0078 0.0274 0.1644
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0025 0.0194
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.1252 0.525 0.6628
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0314 0.1276 0.1255
Trichomonas vaginalis conserved hypothetical protein 0.0377 0.1543 1
Trichomonas vaginalis esterase, putative 0.0035 0.0094 0.0455
Echinococcus multilocularis tyrosine protein kinase Srms 0.0035 0.0092 0.0536
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0094 0.0552
Echinococcus granulosus mitochondrial trans 2 enoyl coenzyme A reductase 0.0078 0.0274 0.1994
Mycobacterium ulcerans polyketide synthase Pks9 0.0828 0.3453 0.4368
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0633 0.2626 0.4616
Mycobacterium ulcerans malonyl CoA-acyl carrier protein transacylase FabD 0.0079 0.028 0.0325
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase AdhE2 0.0078 0.0274 0.0318
Mycobacterium tuberculosis Meromycolate extension acyl carrier protein AcpM 0.0126 0.0481 0.0581
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0712 0.2961 0.3741
Echinococcus granulosus AMP dependent ligase 0.0126 0.0481 0.3643
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.1329 0.5579 0.7077
Echinococcus granulosus tyrosine protein kinase Src42A 0.0034 0.0087 0.05
Trypanosoma brucei oxidoreductase, putative 0.0078 0.0274 0.215
Mycobacterium ulcerans Zn-dependent alcohol dehydrogenase, AdhX 0.0078 0.0274 0.0318
Onchocerca volvulus Acyl carrier protein, mitochondrial homolog 0.0126 0.0481 0.0441
Loa Loa (eye worm) acyl carrier protein 0.0576 0.2384 0.2672
Mycobacterium ulcerans polyketide synthase MbtD 0.0385 0.1576 0.1976
Echinococcus granulosus tyrosine protein kinase Src42A 0.0038 0.0108 0.0663
Leishmania major oxidoreductase, putative 0.0078 0.0274 0.1644
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0314 0.1276 1
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0038 0.0108 0.0663
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0025 0.0194
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.1329 0.5579 0.7077
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0035 0.0092 0.0536
Trypanosoma brucei beta-ketoacyl-ACP synthase 0.0314 0.1276 1
Schistosoma mansoni tyrosine kinase 0.0038 0.0108 0.0547
Mycobacterium tuberculosis Polyketide synthase Pks2 0.1213 0.5087 0.645
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0126 0.0481 0.0581
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0094 0.0078
Plasmodium vivax hypothetical protein, conserved 0.0179 0.0705 0.517
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0094 0.0455
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0078 0.0274 0.1994
Trypanosoma cruzi acyl transferase-like protein, putative 0.0079 0.028 0.2037
Trypanosoma brucei acyl transferase-like protein 0.0079 0.028 0.2192
Echinococcus granulosus cpg binding protein 0.003 0.0071 0.0366
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0094 0.0455
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0506 0.209 0.2631
Onchocerca volvulus 0.0035 0.0094 0.0032
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0812 0.3386 0.6002
Mycobacterium ulcerans quinone oxidoreductase 0.0078 0.0274 0.0318
Mycobacterium ulcerans polyketide synthase 0.1252 0.525 0.6657
Schistosoma mansoni methyltransferase-related 0.0377 0.1543 1
Mycobacterium ulcerans beta-lactamase 0.0035 0.0094 0.0088
Mycobacterium ulcerans quinone reductase Qor 0.0078 0.0274 0.0318
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0192 0.0759 0.0935
Echinococcus granulosus tyrosine protein kinase Fyn 0.0038 0.0108 0.0663
Trypanosoma cruzi nuclear receptor binding factor, putative 0.0078 0.0274 0.1994
Loa Loa (eye worm) fatty acid synthase 0.1235 0.5179 0.5836
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0094 0.0455
Trypanosoma brucei oxidoreductase, putative 0.0078 0.0274 0.215
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.1329 0.5579 0.7051
Loa Loa (eye worm) hypothetical protein 0.2103 0.8857 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0094 0.0088
Loa Loa (eye worm) hypothetical protein 0.0035 0.0094 0.0078
Mycobacterium ulcerans NADP-dependent oxidoreductase 0.0078 0.0274 0.0318
Echinococcus multilocularis tyrosine protein kinase Blk 0.0035 0.0092 0.0536
Toxoplasma gondii type I fatty acid synthase 0.0192 0.0759 0.1212
Loa Loa (eye worm) beta-lactamase 0.0035 0.0094 0.0078
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0192 0.0759 0.0935
Brugia malayi CXXC zinc finger family protein 0.0028 0.0064 0.0039
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0078 0.0274 0.025
Toxoplasma gondii type I fatty acid synthase, putative 0.0891 0.3721 0.6612
Mycobacterium tuberculosis Polyketide synthase Pks12 0.1329 0.5579 0.7077
Mycobacterium ulcerans Type I modular polyketide synthase 0.1252 0.525 0.6657
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0828 0.3453 0.4368
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0094 0.0552
Schistosoma mansoni 3-oxoacyl-[ACP] synthase 0.0314 0.1276 0.8244
Mycobacterium leprae Probable alcohol dehydrogenase AdhA 0.0078 0.0274 0.0232
Leishmania major hypothetical protein, conserved 0.0035 0.0094 0.0455
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0393 0.1611 0.2021
Loa Loa (eye worm) hypothetical protein 0.0701 0.2917 0.3275
Mycobacterium ulcerans thioesterase TesA 0.1043 0.4366 0.553
Trypanosoma brucei Trans-2-enoyl-ACP reductase 2, putative 0.0078 0.0274 0.215
Echinococcus multilocularis tyrosine protein kinase HCK 0.0031 0.0076 0.0406
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0094 0.0069
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.1252 0.525 0.6657
Brugia malayi protein-tyrosine kinase 0.0035 0.0092 0.0067
Mycobacterium ulcerans Type I modular polyketide synthase 0.1252 0.525 0.6657
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.1252 0.525 0.6657
Mycobacterium tuberculosis Hypothetical protein 0.0377 0.1543 0.1934
Mycobacterium leprae Probable S-nitrosomycothiol reductase MscR 0.0078 0.0274 0.0232
Brugia malayi AMP-binding enzyme family protein 0.0385 0.1576 0.1555
Leishmania major zinc-binding dehydrogenase-like protein 0.0078 0.0274 0.1644
Echinococcus granulosus tyrosine protein kinase HCK 0.0031 0.0076 0.0406
Mycobacterium tuberculosis Probable thioesterase TesA 0.1043 0.4366 0.553
Loa Loa (eye worm) hypothetical protein 0.0078 0.0274 0.0283
Mycobacterium tuberculosis Probable alcohol dehydrogenase Adh 0.0078 0.0274 0.0318
Entamoeba histolytica acyl-CoA synthetase, putative 0.0126 0.0481 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0094 0.0552
Mycobacterium ulcerans oxidoreductase FadB5 0.0078 0.0274 0.0318
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.1024 0.4283 0.5426
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0094 0.0455
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0126 0.0481 0.0581
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0094 0.0088
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0078 0.0274 0.025
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.0126 0.0481 0.0497
Brugia malayi ADP-specific Phosphofructokinase/Glucokinase conserved region family protein 0.0079 0.028 0.0256
Onchocerca volvulus 0.1169 0.4901 0.5122
Loa Loa (eye worm) hypothetical protein 0.0078 0.0274 0.0283
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0094 0.0088
Trypanosoma brucei unspecified product 0.0019 0.0025 0.0194
Loa Loa (eye worm) AMP-binding enzyme family protein 0.1169 0.4901 0.5521
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0078 0.0274 0.025
Echinococcus granulosus acyl carrier protein mitochondrial 0.0126 0.0481 0.3643
Mycobacterium tuberculosis Probable NADP-dependent alcohol dehydrogenase AdhC 0.0078 0.0274 0.0318
Toxoplasma gondii Zn-containing alcohol dehydrogenase 0.0078 0.0274 0.0329
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0126 0.0481 0.0581
Echinococcus granulosus tyrosine protein kinase Blk 0.0035 0.0092 0.0536
Loa Loa (eye worm) TK protein kinase 0.0035 0.0092 0.0076
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks4 0.0192 0.0759 0.0935
Entamoeba histolytica protein kinase, putative 0.0031 0.0076 0.1115
Mycobacterium ulcerans fatty acid synthase Fas 0.0393 0.1611 0.2021
Wolbachia endosymbiont of Brugia malayi acyl carrier protein 0.0126 0.0481 0.2059
Mycobacterium tuberculosis Conserved hypothetical protein 0.0126 0.0481 0.0581
Leishmania major d-xylulose reductase, putative 0.0078 0.0274 0.1644
Mycobacterium tuberculosis Possible oxidoreductase FadB5 0.0078 0.0274 0.0318
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0025 0.0194
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0094 0.0088
Trypanosoma cruzi oxidoreductase, putative 0.0078 0.0274 0.1994
Schistosoma mansoni tyrosine kinase 0.0038 0.0108 0.0547
Leishmania major nuclear receptor binding factor-like protein 0.0078 0.0274 0.1644
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.1169 0.4901 0.6213
Mycobacterium tuberculosis Probable NADPH quinone oxidoreductase FadB4 (NADPH:quinone reductase) (zeta-crystallin) 0.0078 0.0274 0.0318
Brugia malayi beta-lactamase family protein 0.0035 0.0094 0.0069
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0126 0.0481 0.0581
Mycobacterium tuberculosis Polyketide synthase Pks13 0.1871 0.7874 1
Mycobacterium leprae Probable oxidireductase 0.0078 0.0274 0.0232
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.0197 0.1135
Leishmania major oxidoreductase-like protein 0.0078 0.0274 0.1644
Mycobacterium ulcerans NADP-dependent alcohol dehydrogenase Adh 0.0078 0.0274 0.0318
Mycobacterium ulcerans short-chain dehydrogenase 0.0078 0.0274 0.0318
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0078 0.0274 0.1994
Plasmodium falciparum 3-oxoacyl-acyl-carrier protein synthase I/II 0.0314 0.1276 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.0094 0.0088
Echinococcus multilocularis cpg binding protein 0.003 0.0071 0.0366
Mycobacterium ulcerans lipase LipD 0.0035 0.0094 0.0088
Echinococcus multilocularis Acyl carrier protein, mitochondrial 0.0126 0.0481 0.3643
Entamoeba histolytica NADP-dependent alcohol dehydrogenase 0.0078 0.0274 0.5475
Mycobacterium tuberculosis Possible dehydrogenase 0.0078 0.0274 0.0318
Mycobacterium ulcerans dehydrogenase 0.0078 0.0274 0.0318
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0038 0.0108 0.0663
Mycobacterium tuberculosis S-nitrosomycothiol reductase MscR 0.0078 0.0274 0.0318
Mycobacterium tuberculosis Probable quinone reductase Qor (NADPH:quinone reductase) (zeta-crystallin homolog protein) 0.0078 0.0274 0.0318
Mycobacterium ulcerans acyl carrier protein 0.0126 0.0481 0.0581
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0038 0.0108 0.0663
Mycobacterium leprae Probable polyketide synthase Pks1 0.1329 0.5579 0.7051
Brugia malayi AMP-binding enzyme family protein 0.1169 0.4901 0.4889
Mycobacterium tuberculosis Probable oxidoreductase 0.0078 0.0274 0.0318
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.043 0.1769 0.2222
Plasmodium vivax acyl carrier protein, putative 0.0126 0.0481 0.3271
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0094 0.0088
Loa Loa (eye worm) phosphopantetheine attachment site family protein 0.0126 0.0481 0.0516
Loa Loa (eye worm) TK protein kinase 0.0031 0.0076 0.0058
Loa Loa (eye worm) hypothetical protein 0.0035 0.0094 0.0078
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD9 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0126 0.0481 0.0581
Loa Loa (eye worm) acyl carrier protein 0.0126 0.0481 0.0516
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.1329 0.5579 0.7051
Schistosoma mansoni cpg binding protein 0.0028 0.0064 0.0257
Mycobacterium ulcerans fatty-acid-CoA ligase FadD9 0.0126 0.0481 0.0581
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0035 0.0092 0.0536
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0126 0.0481 0.0581
Mycobacterium tuberculosis Probable alcohol dehydrogenase AdhA 0.0078 0.0274 0.0318
Brugia malayi beta-lactamase family protein 0.0035 0.0094 0.0069
Entamoeba histolytica acyl-CoA synthetase, putative 0.0126 0.0481 1
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.1329 0.5579 0.7077
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0078 0.0274 0.1644
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks3 0.0192 0.0759 0.0935
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0126 0.0481 0.0457
Loa Loa (eye worm) hypothetical protein 0.0035 0.0094 0.0078
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0899 0.3756 0.4754
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase 0.0078 0.0274 0.0318
Entamoeba histolytica NADP-dependent alcohol dehydrogenase, putative 0.0078 0.0274 0.5475
Echinococcus granulosus tyrosine protein kinase Lyn 0.0038 0.0108 0.0663
Mycobacterium tuberculosis Conserved protein 0.0035 0.0094 0.0088
Leishmania major NADP-dependent alcohol dehydrogenase, putative 0.0078 0.0274 0.1644
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0225 0.0897 0.1111
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0126 0.0481 0.0581
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0025 0.0194
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0025 0.0194
Mycobacterium tuberculosis Possible quinone oxidoreductase (NADPH:quinone oxidoreductase) (zeta-crystallin) 0.0078 0.0274 0.0318
Toxoplasma gondii 3-oxoacyl-acyl-carrier protein synthase I/II, putative 0.0314 0.1276 0.2156
Loa Loa (eye worm) hypothetical protein 0.0035 0.0094 0.0078
Plasmodium vivax malonyl CoA-acyl carrier protein transacylase precursor, putative 0.0079 0.028 0.1571
Echinococcus multilocularis 3 oxoacyl (acyl carrier protein) synthase 0.0314 0.1276 1
Toxoplasma gondii quinone oxidoreductase, putative 0.0078 0.0274 0.0329
Loa Loa (eye worm) hypothetical protein 0.0035 0.0094 0.0078
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.1871 0.7874 1
Schistosoma mansoni hypothetical protein 0.0126 0.0481 0.3003
Wolbachia endosymbiont of Brugia malayi ACP S-malonyltransferase 0.0079 0.028 0.0053
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.1043 0.4366 0.5491
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0038 0.0108 0.0663
Trypanosoma cruzi oxidoreductase, putative 0.0078 0.0274 0.1994
Leishmania major hypothetical protein, conserved 0.0377 0.1543 1
Onchocerca volvulus 0.0035 0.0094 0.0032
Onchocerca volvulus 0.0078 0.0274 0.0223
Echinococcus granulosus tyrosine kinase 0.0035 0.0092 0.0536
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.1252 0.525 0.6628
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0034 0.0087 0.05
Mycobacterium leprae PROBABLE POLYKETIDE BETA-KETOACYL SYNTHASE PKS4 0.0192 0.0759 0.0854
Schistosoma mansoni cpg binding protein 0.003 0.0071 0.0301
Mycobacterium ulcerans polyketide synthase 0.1329 0.5579 0.7077
Echinococcus multilocularis AMP dependent ligase 0.0126 0.0481 0.3643
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0094 0.0088
Mycobacterium ulcerans non-ribosomal peptide synthetase 0.0126 0.0481 0.0581
Leishmania major acyl carrier protein, putative 0.0126 0.0481 0.3003

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference

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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