Detailed information for compound 1261992

Basic information

Technical information
  • TDR Targets ID: 1261992
  • Name: 1-(3-dimethylaminopropyl)-1-[(8-methyl-2-oxo- 1H-quinolin-3-yl)methyl]-3-(2-phenylethyl)thi ourea
  • MW: 436.613 | Formula: C25H32N4OS
  • H donors: 1 H acceptors: 2 LogP: 4.88 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCCN(C(=NCCc1ccccc1)S)Cc1cc2cccc(c2nc1O)C)C
  • InChi: 1S/C25H32N4OS/c1-19-9-7-12-21-17-22(24(30)27-23(19)21)18-29(16-8-15-28(2)3)25(31)26-14-13-20-10-5-4-6-11-20/h4-7,9-12,17H,8,13-16,18H2,1-3H3,(H,26,31)(H,27,30)
  • InChiKey: DSLOYHNODZTLQN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(3-dimethylaminopropyl)-1-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]-3-(2-phenylethyl)thiourea
  • ASN 04250415
  • MLS000715299
  • SMR000275278

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus transient receptor potential cation channel, subfamily C, member 4 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus transient receptor potential gamma protein Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum ko:K05328 transient receptor potential cation channel, subfamily C,, putative Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus granulosus transient receptor potential ion channel A Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus multilocularis TRP (transient receptor potential) channel Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum Short transient receptor potential channel 5, putative Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus multilocularis transient receptor potential gamma protein Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum ko:K05328 transient receptor potential cation channel, subfamily C,, putative Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus multilocularis transient receptor potential ion channel A Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma mansoni transient receptor potential channel 4 Get druggable targets OG5_128782 All targets in OG5_128782
Brugia malayi Transient-receptor-potential like protein Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus granulosus TRP transient receptor potential channel Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma mansoni transient receptor potential channel Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum Transient receptor potential-gamma protein, putative Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum Short transient receptor potential channel 5, putative Get druggable targets OG5_128782 All targets in OG5_128782
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis short transient receptor potential channel 6 transient receptor potential cation channel, subfamily C, member 4 890 aa 799 aa 31.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.2437 0.2841
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.1323 0.1323
Echinococcus multilocularis mothers against decapentaplegic 5 0.0009 0.0134 0.0121
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0516 0.0516
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.2084 0.2424
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0516 0.0516
Schistosoma mansoni transient receptor potential channel 0.0078 0.3256 0.3808
Echinococcus granulosus smad 0.0009 0.0134 0.0121
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.085 0.6294
Loa Loa (eye worm) hypothetical protein 0.0025 0.085 0.1376
Schistosoma mansoni transient receptor potential channel 4 0.0117 0.5069 0.5951
Plasmodium vivax thioredoxin reductase, putative 0.0037 0.1416 1
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0044 0.1705 0.1976
Plasmodium vivax pyruvate kinase 2, putative 0.0018 0.0519 0.345
Trypanosoma cruzi pyruvate kinase 2, putative 0.0034 0.1283 0.9034
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.1323 1
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0013 0.0303 0.1872
Trichomonas vaginalis pyruvate kinase, putative 0.0034 0.1283 0.9701
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0052 0.2084 0.3483
Brugia malayi MH1 domain containing protein 0.0009 0.0134 0.0155
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0997 0.1627
Echinococcus multilocularis pyruvate kinase 0.0018 0.0519 0.0575
Loa Loa (eye worm) transcription factor SMAD2 0.0135 0.5902 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0085 0.3598 0.3598
Schistosoma mansoni smad1 5 8 and 0.0009 0.0134 0.0121
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.2084 0.2424
Echinococcus granulosus Smad4 0.0009 0.0134 0.0121
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.1323 1
Brugia malayi AMP-binding enzyme family protein 0.0025 0.085 0.1376
Giardia lamblia Pyruvate kinase 0.0018 0.0519 0.2203
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0094 0.4031 0.4031
Loa Loa (eye worm) hypothetical protein 0.0035 0.1323 0.2184
Brugia malayi AMP-binding enzyme family protein 0.0025 0.085 0.1376
Chlamydia trachomatis pyruvate kinase 0.0034 0.1283 1
Toxoplasma gondii pyruvate kinase PyK1 0.0034 0.1283 0.5892
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0013 0.0303 0.1872
Echinococcus granulosus thioredoxin glutathione reductase 0.0038 0.1438 0.1662
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.085 0.085
Schistosoma mansoni smad1 5 8 and 0.0009 0.0134 0.0121
Onchocerca volvulus 0.0028 0.0997 0.7447
Trichomonas vaginalis glutathione reductase, putative 0.0013 0.0303 0.2268
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.1283 0.9691
Mycobacterium leprae Probable lipase LipE 0.0035 0.1323 0.3203
Onchocerca volvulus 0.0025 0.085 0.6294
Plasmodium falciparum glutathione reductase 0.0013 0.0303 0.1872
Plasmodium falciparum acyl-CoA synthetase 0.0019 0.0562 0.3768
Echinococcus multilocularis pyruvate kinase 0.0034 0.1283 0.1479
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.1323 1
Onchocerca volvulus 0.0035 0.1323 1
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0007 0.0046 0.0046
Loa Loa (eye worm) beta-lactamase 0.0035 0.1323 0.2184
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0013 0.0303 0.2008
Echinococcus granulosus tar DNA binding protein 0.0066 0.2751 0.3212
Brugia malayi TAR-binding protein 0.0066 0.2751 0.4622
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0013 0.0303 0.1872
Plasmodium falciparum pyruvate kinase 0.0034 0.1283 0.9034
Echinococcus multilocularis geminin 0.0192 0.8498 1
Echinococcus granulosus pyruvate kinase 0.0018 0.0519 0.0575
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.1323 0.2184
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0007 0.0046 0.0046
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0013 0.0303 0.1872
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0009 0.0146 0.0175
Loa Loa (eye worm) hypothetical protein 0.0035 0.1323 0.2184
Leishmania major trypanothione reductase 0.0037 0.1416 1
Schistosoma mansoni tar DNA-binding protein 0.0066 0.2751 0.3212
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.1323 0.1525
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.011 0.0092
Echinococcus multilocularis smad 0.0009 0.0134 0.0121
Loa Loa (eye worm) Smad1 0.0009 0.0134 0.0155
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0052 0.2084 0.3483
Echinococcus granulosus short transient receptor potential channel 6 0.0078 0.3256 0.3808
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.1323 0.2184
Schistosoma mansoni transient receptor potential channel 0.0078 0.3256 0.3808
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0007 0.0046 0.0005
Onchocerca volvulus 0.0035 0.1323 1
Trypanosoma brucei pyruvate kinase 1 0.0034 0.1283 0.9034
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.011 0.0092
Leishmania major pyruvate kinase 0.0034 0.1283 0.9034
Mycobacterium ulcerans beta-lactamase 0.0035 0.1323 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.1323 0.2184
Schistosoma mansoni smad 0.0009 0.0134 0.0121
Echinococcus multilocularis thioredoxin glutathione reductase 0.0038 0.1438 0.1662
Toxoplasma gondii ABC1 family protein 0.0035 0.1323 0.6079
Echinococcus granulosus mothers against decapentaplegic 5 0.0009 0.0134 0.0121
Mycobacterium leprae Probable pyruvate kinase PykA 0.0034 0.1283 0.3104
Schistosoma mansoni tar DNA-binding protein 0.0066 0.2751 0.3212
Schistosoma mansoni tar DNA-binding protein 0.0066 0.2751 0.3212
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0013 0.0303 0.1221
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0013 0.0303 0.2008
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.1323 0.9321
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.085 0.6294
Brugia malayi AMP-binding enzyme family protein 0.0025 0.085 0.1376
Toxoplasma gondii thioredoxin reductase 0.0037 0.1416 0.6522
Schistosoma mansoni hypothetical protein 0.0192 0.8498 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.085 0.1376
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0034 0.1283 0.1283
Loa Loa (eye worm) hypothetical protein 0.0035 0.1323 0.2184
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.0046 0.0005
Echinococcus multilocularis pyruvate kinase 0.0027 0.0952 0.1088
Mycobacterium ulcerans hypothetical protein 0.0025 0.085 0.6294
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.085 0.085
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.085 1
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.1283 0.9691
Entamoeba histolytica pyruvate kinase, putative 0.0024 0.0808 0.948
Brugia malayi MH2 domain containing protein 0.0135 0.5902 1
Plasmodium falciparum thioredoxin reductase 0.0037 0.1416 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0013 0.0303 0.1872
Loa Loa (eye worm) hypothetical protein 0.0019 0.0562 0.0886
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.2084 0.2424
Echinococcus granulosus transient receptor potential ion channel A 0.0113 0.4891 0.574
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0007 0.0046 0.0005
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.085 0.6294
Loa Loa (eye worm) thioredoxin reductase 0.0037 0.1416 0.2342
Loa Loa (eye worm) hypothetical protein 0.0019 0.0562 0.0886
Schistosoma mansoni cpg binding protein 0.0028 0.0997 0.114
Echinococcus granulosus transient receptor potential gamma protein 0.0117 0.5069 0.5951
Echinococcus multilocularis short transient receptor potential channel 6 0.0078 0.3256 0.3808
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0085 0.3598 0.3598
Echinococcus multilocularis cpg binding protein 0.003 0.107 0.1227
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0013 0.0303 0.1872
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0009 0.0146 0.0175
Echinococcus multilocularis pyruvate kinase 0.0034 0.1283 0.1479
Brugia malayi CXXC zinc finger family protein 0.0028 0.0997 0.1627
Brugia malayi MH2 domain containing protein 0.0009 0.0134 0.0155
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.1323 0.1525
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.1323 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.1323 0.2184
Schistosoma mansoni Smad4 0.0009 0.0134 0.0121
Schistosoma mansoni pyruvate kinase 0.0018 0.0519 0.0575
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0013 0.0303 0.1872
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0046 0.0046
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0085 0.3598 0.8912
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0019 0.0562 0.4042
Mycobacterium tuberculosis Conserved protein 0.0035 0.1323 0.1323
Brugia malayi beta-lactamase family protein 0.0035 0.1323 0.2184
Leishmania major pyruvate kinase 0.0034 0.1283 0.9034
Echinococcus granulosus short transient receptor potential channel 6 0.0078 0.3256 0.3808
Mycobacterium tuberculosis Probable reductase 0.0085 0.3598 0.3598
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0013 0.0303 0.1872
Plasmodium vivax acyl-CoA synthetase, putative 0.0019 0.0562 0.3768
Schistosoma mansoni hypothetical protein 0.0192 0.8498 1
Mycobacterium ulcerans hypothetical protein 0.0035 0.1323 1
Treponema pallidum NADH oxidase 0.0013 0.0303 0.5
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0013 0.0303 0.1872
Trichomonas vaginalis pyruvate kinase, putative 0.0034 0.1283 0.9701
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0013 0.0303 0.1872
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0046 0.0046
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.085 0.6294
Loa Loa (eye worm) hypothetical protein 0.0007 0.0046 0.0005
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.1323 0.9321
Echinococcus granulosus pyruvate kinase 0.0034 0.1283 0.1479
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0007 0.0046 0.0046
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.085 0.2016
Schistosoma mansoni tar DNA-binding protein 0.0066 0.2751 0.3212
Leishmania major hypothetical protein, conserved 0.0035 0.1323 0.9321
Entamoeba histolytica acyl-coA synthetase, putative 0.0025 0.085 1
Echinococcus multilocularis short transient receptor potential channel 6 0.0078 0.3256 0.3808
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.001 0.0188 0.0246
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.085 0.5867
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0046 0.0325
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0009 0.0134 0.0121
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0013 0.0303 0.0442
Brugia malayi glutathione reductase 0.0037 0.1416 0.2342
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0007 0.0046 0.0046
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0037 0.1416 0.1416
Loa Loa (eye worm) hypothetical protein 0.0034 0.1283 0.2116
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0046 0.0005
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.085 0.6294
Mycobacterium tuberculosis Conserved protein 0.0035 0.1323 0.1323
Plasmodium falciparum thioredoxin reductase 0.0013 0.0303 0.1872
Echinococcus granulosus pyruvate kinase 0.0018 0.0519 0.0575
Schistosoma mansoni acetyl-CoA synthetase 0.0007 0.0046 0.0018
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0013 0.0303 0.5
Plasmodium vivax pyruvate kinase, putative 0.0034 0.1283 0.9034
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0013 0.0303 0.1872
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.0134 0.0121
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0013 0.0303 0.1872
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0085 0.3598 0.3598
Loa Loa (eye worm) oxidoreductase 0.0007 0.0046 0.0005
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0007 0.0046 0.0018
Brugia malayi RNA binding protein 0.0066 0.2751 0.4622
Trypanosoma brucei trypanothione reductase 0.0037 0.1416 1
Loa Loa (eye worm) pyruvate kinase 0.0034 0.1283 0.2116
Loa Loa (eye worm) hypothetical protein 0.0019 0.0562 0.0886
Echinococcus multilocularis transient receptor potential ion channel A 0.0113 0.4891 0.574
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0046 0.0046
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.1323 0.9321
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0085 0.3598 0.3598
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.1323 0.1323
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.1323 0.1525
Toxoplasma gondii pyruvate kinase PyKII 0.0018 0.0519 0.225
Echinococcus granulosus geminin 0.0192 0.8498 1
Echinococcus granulosus TRP transient receptor potential channel 0.0044 0.1705 0.1976
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0013 0.0303 0.032
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0046 0.0005
Mycobacterium ulcerans lipase LipD 0.0035 0.1323 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0013 0.0303 0.1872
Mycobacterium tuberculosis Probable oxidoreductase 0.0094 0.4031 0.4031
Brugia malayi Thioredoxin reductase 0.0037 0.1416 0.2342
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.2146 1
Echinococcus multilocularis pyruvate kinase 0.0018 0.0519 0.0575
Giardia lamblia Pyruvate kinase 0.0034 0.1283 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.085 0.5867
Loa Loa (eye worm) histone methyltransferase 0.0009 0.011 0.0113
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.1323 1
Brugia malayi beta-lactamase family protein 0.0035 0.1323 0.2184
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0013 0.0303 0.032
Trypanosoma brucei pyruvate kinase 1, putative 0.0034 0.1283 0.9034
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0013 0.0303 0.2008
Onchocerca volvulus 0.0035 0.1323 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.1323 0.1323
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.1323 0.1323
Echinococcus granulosus pyruvate kinase 0.0018 0.0519 0.0575
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.2084 0.2424
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.085 0.2016
Loa Loa (eye worm) hypothetical protein 0.0044 0.1705 0.2836
Trypanosoma cruzi pyruvate kinase 2, putative 0.0034 0.1283 0.9034
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0046 0.0046
Plasmodium vivax hypothetical protein, conserved 0.0035 0.1323 0.9321
Loa Loa (eye worm) TAR-binding protein 0.0066 0.2751 0.4622
Loa Loa (eye worm) hypothetical protein 0.0117 0.5069 0.8579
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0105 0.0105
Echinococcus granulosus TGF beta signal transducer SmadC 0.0009 0.0134 0.0121
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0013 0.0303 0.1872
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0013 0.0303 0.1872
Plasmodium vivax glutathione reductase, putative 0.0037 0.1416 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.1323 0.1525
Trypanosoma cruzi trypanothione reductase, putative 0.0037 0.1416 1
Loa Loa (eye worm) RNA binding protein 0.0066 0.2751 0.4622
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0013 0.0303 0.1872
Brugia malayi MH2 domain containing protein 0.0009 0.0134 0.0155
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.085 0.6294
Loa Loa (eye worm) pyruvate kinase 0.0034 0.1283 0.2116
Loa Loa (eye worm) hypothetical protein 0.0007 0.0046 0.0005
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.085 0.5867
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0007 0.0046 0.0046
Loa Loa (eye worm) hypothetical protein 0.0019 0.0562 0.0886
Echinococcus multilocularis transient receptor potential gamma protein 0.0117 0.5069 0.5951
Trichomonas vaginalis esterase, putative 0.0035 0.1323 1
Schistosoma mansoni pyruvate kinase 0.0034 0.1283 0.1479
Brugia malayi Pyruvate kinase, M2 isozyme 0.0034 0.1283 0.2116
Mycobacterium ulcerans pyruvate kinase 0.0034 0.1283 0.9691
Loa Loa (eye worm) pyruvate kinase 0.0034 0.1283 0.2116
Brugia malayi Transient-receptor-potential like protein 0.0044 0.1705 0.2836
Brugia malayi Smad1 0.0009 0.0134 0.0155
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0046 0.0005
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0516 0.0516
Schistosoma mansoni transient receptor potential channel 0.0117 0.5069 0.5951
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0562 0.0562
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.2751 0.4622
Schistosoma mansoni cpg binding protein 0.003 0.107 0.1227
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0094 0.4031 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0135 0.5902 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0516 0.0516
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0007 0.0046 0.0046
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0013 0.0303 0.1872
Echinococcus granulosus cpg binding protein 0.003 0.107 0.1227
Loa Loa (eye worm) glutathione reductase 0.0037 0.1416 0.2342
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.2084 0.2424
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.1323 0.1323
Loa Loa (eye worm) MH1 domain-containing protein 0.0009 0.0134 0.0155
Loa Loa (eye worm) hypothetical protein 0.0025 0.085 0.1376
Loa Loa (eye worm) MH2 domain-containing protein 0.0009 0.0134 0.0155
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0094 0.4031 0.4031
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 0.2751 0.4622
Trichomonas vaginalis mercuric reductase, putative 0.0013 0.0303 0.2268
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.1323 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.2084 0.2424
Echinococcus multilocularis pyruvate kinase 0.0018 0.0519 0.0575
Schistosoma mansoni pyruvate kinase 0.0034 0.1283 0.1479
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0046 0.0005
Toxoplasma gondii NADPH-glutathione reductase 0.0013 0.0303 0.1221
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.1323 0.1323
Loa Loa (eye worm) hypothetical protein 0.0019 0.0562 0.0886
Mycobacterium tuberculosis Probable dehydrogenase 0.0085 0.3598 0.3598
Loa Loa (eye worm) hypothetical protein 0.0074 0.3077 0.5178
Loa Loa (eye worm) hypothetical protein 0.0024 0.0808 0.1305
Loa Loa (eye worm) pyruvate kinase-PB 0.0024 0.0808 0.1305
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.085 0.6294
Echinococcus multilocularis Smad4 0.0009 0.0134 0.0121
Brugia malayi MH1 domain containing protein 0.0009 0.0134 0.0155
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0013 0.0303 0.1872
Schistosoma mansoni smad1 5 8 and 0.0009 0.0134 0.0121
Trypanosoma cruzi trypanothione reductase, putative 0.0013 0.0303 0.1872
Echinococcus multilocularis tar DNA binding protein 0.0066 0.2751 0.3212
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.085 1
Schistosoma mansoni cpg binding protein 0.003 0.107 0.1227
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0013 0.0303 0.1872
Schistosoma mansoni tar DNA-binding protein 0.0066 0.2751 0.3212
Mycobacterium tuberculosis Conserved protein 0.0035 0.1323 0.1323
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0007 0.0046 0.0018
Brugia malayi beta-lactamase 0.0035 0.1323 0.2184
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0013 0.0303 0.032
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.2084 0.2424
Mycobacterium leprae conserved hypothetical protein 0.0035 0.1323 0.3203
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.0046 0.0005
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0013 0.0303 0.1872
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.1323 1
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0007 0.0046 0.0046
Loa Loa (eye worm) hypothetical protein 0.0035 0.1323 0.2184
Plasmodium falciparum glutathione reductase 0.0037 0.1416 1
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0046 0.0325
Plasmodium falciparum pyruvate kinase 2 0.0018 0.0519 0.345
Loa Loa (eye worm) hypothetical protein 0.004 0.1526 0.2531
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0013 0.0303 0.0303
Echinococcus granulosus pyruvate kinase 0.0034 0.1283 0.1479
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.1283 0.9691
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0019 0.0562 0.2647
Brugia malayi Pyruvate kinase, muscle isozyme 0.0034 0.1283 0.2116
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.1323 0.1323
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0013 0.0303 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) 4.216 uM PUBCHEM_BIOASSAY: Confirmation dose response assay for compounds that inhibit transient receptor potential cation channel C4 (TRPC4). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2247, AID2256] ChEMBL. No reference
Potency (functional) 13.1154 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) 89.1251 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.

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