Detailed information for compound 1296283

Basic information

Technical information
  • TDR Targets ID: 1296283
  • Name: 1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]- 3-methyl-1-(thiophen-2-ylmethyl)thiourea
  • MW: 373.492 | Formula: C18H19N3O2S2
  • H donors: 2 H acceptors: 2 LogP: 3.07 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNC(=S)N(Cc1cc2ccc(cc2nc1O)OC)Cc1cccs1
  • InChi: 1S/C18H19N3O2S2/c1-19-18(24)21(11-15-4-3-7-25-15)10-13-8-12-5-6-14(23-2)9-16(12)20-17(13)22/h3-9H,10-11H2,1-2H3,(H,19,24)(H,20,22)
  • InChiKey: CAIBJUQZYIDGTD-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-(2-thienylmethyl)thiourea
  • 1-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl]-3-methyl-1-(2-thienylmethyl)thiourea
  • ASN 03579887
  • 1-(7-Methoxy-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-3-methyl-1-thiophen-2-ylmethyl-thiourea
  • MLS000554023
  • SMR000170908
  • ZINC01224683

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens pyruvate kinase, muscle Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) pyruvate kinase-PB Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum Pyruvate kinase (EC 2.7.1.40), related Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium vivax pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Babesia bovis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium yoelii pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Pyruvate kinase, muscle isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Giardia lamblia Pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum Pyruvate kinase isozyme R, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma congolense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Entamoeba histolytica pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium knowlesi pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium parvum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium falciparum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum ko:K00873 pyruvate kinase [EC2.7.1.40], putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii pyruvate kinase PyK1 Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Chlamydia trachomatis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium hominis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Theileria parva pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium ulcerans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei pyruvate kinase 1 Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium berghei pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium leprae Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Pyruvate kinase, M2 isozyme Get druggable targets OG5_126685 All targets in OG5_126685

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus pyruvate kinase pyruvate kinase, muscle 605 aa 521 aa 34.9 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0105 0.0931 1
Brugia malayi AMP-binding enzyme family protein 0.0357 0.3549 0.534
Trichomonas vaginalis glutaminase, putative 0.029 0.2851 0.3646
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0024 0.0036
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0105 0.0931 0.1397
Echinococcus granulosus mothers against decapentaplegic 5 0.0017 0.0019 0.0043
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0105 0.0931 0.2038
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0094 0.0819 0.0815
Loa Loa (eye worm) hypothetical protein 0.0094 0.0819 0.1232
Plasmodium vivax acetyl-CoA synthetase, putative 0.0105 0.0931 0.342
Leishmania major pyruvate kinase 0.004 0.0261 0.0367
Brugia malayi AMP-binding enzyme family protein 0.0105 0.0931 0.1397
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0105 0.0931 0.2038
Onchocerca volvulus 0.0105 0.0931 0.1014
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0252 0.2461 0.6691
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0252 0.2461 0.6691
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0006 0.0003
Echinococcus multilocularis musashi 0.0033 0.0181 0.0178
Brugia malayi MH1 domain containing protein 0.0017 0.0019 0.0023
Mycobacterium leprae POSSIBLE O-SUCCINYLBENZOIC ACID--CoA LIGASE MENE (OSB-CoA SYNTHETASE) (O-SUCCINYLBENZOATE-CoA SYNTHASE) 0.0105 0.0931 0.2038
Echinococcus multilocularis smad 0.0017 0.0019 0.0016
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0416 0.0626
Entamoeba histolytica acyl-CoA synthetase, putative 0.0357 0.3549 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0416 0.1144
Loa Loa (eye worm) hypothetical protein 0.0357 0.3549 0.5342
Trichomonas vaginalis antibiotic synthetase, putative 0.0105 0.0931 0.1068
Loa Loa (eye worm) hypothetical protein 0.0357 0.3549 0.5342
Mycobacterium ulcerans hypothetical protein 0.0357 0.3549 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0267 0.2612 0.7151
Mycobacterium ulcerans acyl-CoA synthetase 0.0105 0.0931 0.2038
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0267 0.2612 0.7151
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0017 0.0019 0.0055
Mycobacterium ulcerans acyl-CoA synthetase 0.0105 0.0931 0.2038
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0105 0.0931 0.0928
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0349 0.0521
Brugia malayi MH1 domain containing protein 0.0017 0.0019 0.0023
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0181 0.0272
Schistosoma mansoni intermediate filament proteins 0.0033 0.0181 0.0624
Entamoeba histolytica acyl-coA synthetase, putative 0.0357 0.3549 1
Brugia malayi AMP-binding enzyme family protein 0.0357 0.3549 0.534
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0604 0.1042
Brugia malayi TAR-binding protein 0.0065 0.0522 0.0781
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0105 0.0931 0.2038
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0416 0.1144
Schistosoma mansoni smad1 5 8 and 0.0017 0.0019 0.0055
Plasmodium vivax acyl-CoA synthetase, putative 0.0267 0.2612 1
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0105 0.0931 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0349 0.0526
Giardia lamblia Pyruvate kinase 0.004 0.0261 1
Echinococcus granulosus pyruvate kinase 0.004 0.0261 0.0714
Echinococcus granulosus intermediate filament protein 0.0033 0.0181 0.0492
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0357 0.3549 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0094 0.0819 0.0815
Brugia malayi Pre-SET motif family protein 0.0094 0.0819 0.1228
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.0522 0.0781
Brugia malayi MH2 domain containing protein 0.0017 0.0019 0.0023
Loa Loa (eye worm) hypothetical protein 0.0049 0.0349 0.0526
Brugia malayi RNA binding protein 0.0065 0.0522 0.0781
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0522 0.1821
Brugia malayi glutaminase DH11.1 0.029 0.2851 0.4288
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.0261 0.0168
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0416 0.0413
Entamoeba histolytica Flap nuclease, putative 0.0028 0.0136 0.0003
Leishmania major acetyl-CoA synthetase, putative 0.0105 0.0931 0.2331
Plasmodium falciparum acyl-CoA synthetase 0.0267 0.2612 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0656 0.6643 1
Brugia malayi Flap endonuclease-1 0.0028 0.0136 0.0199
Loa Loa (eye worm) hypothetical protein 0.0357 0.3549 0.5342
Echinococcus multilocularis pyruvate kinase 0.004 0.0261 0.0258
Loa Loa (eye worm) hypothetical protein 0.004 0.0261 0.0393
Onchocerca volvulus 0.0746 0.7583 1
Brugia malayi MH2 domain containing protein 0.0249 0.2423 0.3644
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0105 0.0931 0.1402
Schistosoma mansoni Smad4 0.0017 0.0019 0.0055
Giardia lamblia Flap structure-specific endonuclease 0.0028 0.0136 0.3834
Brugia malayi AMP-binding enzyme family protein 0.0105 0.0931 0.1397
Loa Loa (eye worm) hypothetical protein 0.0105 0.0931 0.1402
Echinococcus multilocularis pyruvate kinase 0.0032 0.0173 0.017
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.0105 0.0931 0.2038
Mycobacterium ulcerans acyl-CoA synthetase 0.0357 0.3549 1
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0604 0.6251
Echinococcus granulosus pyruvate kinase 0.0021 0.0058 0.015
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0252 0.2461 0.6691
Mycobacterium ulcerans acyl-CoA synthetase 0.0105 0.0931 0.2038
Loa Loa (eye worm) hypothetical protein 0.0033 0.0189 0.0285
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.0522 0.0785
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0522 0.1821
Schistosoma mansoni pyruvate kinase 0.0021 0.0058 0.0191
Loa Loa (eye worm) hypothetical protein 0.0053 0.0395 0.0594
Plasmodium vivax pyruvate kinase, putative 0.004 0.0261 0.0796
Mycobacterium ulcerans O-succinylbenzoic acid--CoA ligase 0.0105 0.0931 0.2038
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0349 0.0521
Loa Loa (eye worm) hypothetical protein 0.0267 0.2612 0.3932
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0105 0.0931 0.2038
Schistosoma mansoni smad 0.0017 0.0019 0.0055
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0261 0.0108
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0017 0.0019 0.0016
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0189 0.028
Mycobacterium ulcerans acyl-CoA synthetase 0.0357 0.3549 1
Echinococcus granulosus Smad4 0.0017 0.0019 0.0043
Mycobacterium ulcerans acyl-CoA synthetase 0.0105 0.0931 0.2038
Echinococcus multilocularis mothers against decapentaplegic 5 0.0017 0.0019 0.0016
Onchocerca volvulus 0.0053 0.0395 0.0289
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0094 0.0819 0.2863
Toxoplasma gondii propionate-CoA ligase 0.0105 0.0931 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0105 0.0931 0.2038
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0094 0.0819 0.2863
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0357 0.3549 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0604 0.1042
Echinococcus granulosus tar DNA binding protein 0.0065 0.0522 0.1437
Brugia malayi Pyruvate kinase, muscle isozyme 0.004 0.0261 0.0388
Loa Loa (eye worm) hypothetical protein 0.0267 0.2612 0.3932
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0522 0.1821
Plasmodium falciparum pyruvate kinase 0.004 0.0261 0.0796
Onchocerca volvulus 0.0105 0.0931 0.1014
Plasmodium vivax SET domain protein, putative 0.0094 0.0819 0.2979
Loa Loa (eye worm) MH1 domain-containing protein 0.0017 0.0019 0.0028
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0006 0.0008
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0028 0.0136 0.0893
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0604 0.2108
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0105 0.0931 1
Schistosoma mansoni pyruvate kinase 0.004 0.0261 0.0905
Plasmodium vivax flap endonuclease 1, putative 0.0028 0.0136 0.0305
Loa Loa (eye worm) glutaminase 2 0.029 0.2851 0.4291
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0416 0.145
Mycobacterium ulcerans acetyl-CoA synthetase 0.0105 0.0931 0.2038
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0181 0.0272
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.0261 0.1576
Loa Loa (eye worm) hypothetical protein 0.0267 0.2612 0.3932
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0105 0.0931 0.2333
Mycobacterium leprae POSSIBLE FATTY-ACID-CoA LIGASE FADD10 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0105 0.0931 0.2038
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0522 0.1821
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0091 0.0783 0.216
Schistosoma mansoni pyruvate kinase 0.004 0.0261 0.0905
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0105 0.0931 0.2038
Loa Loa (eye worm) hypothetical protein 0.0016 0.0006 0.0009
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0105 0.0931 0.2038
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0261 0.0108
Leishmania major acetyl-CoA synthetase, putative 0.0105 0.0931 0.2331
Loa Loa (eye worm) TAR-binding protein 0.0065 0.0522 0.0785
Loa Loa (eye worm) MH2 domain-containing protein 0.0249 0.2423 0.3647
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0252 0.2461 0.6691
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.0261 0.1576
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0267 0.2612 1
Loa Loa (eye worm) Smad1 0.0017 0.0019 0.0028
Loa Loa (eye worm) hypothetical protein 0.0028 0.0135 0.0203
Schistosoma mansoni smad1 5 8 and 0.0017 0.0019 0.0055
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0105 0.0931 0.2038
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0094 0.0819 0.871
Loa Loa (eye worm) pyruvate kinase 0.004 0.0261 0.0393
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0357 0.3549 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0604 0.0601
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0416 0.0622
Brugia malayi MH2 domain containing protein 0.0017 0.0019 0.0023
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0105 0.0931 0.2038
Loa Loa (eye worm) MH2 domain-containing protein 0.0017 0.0019 0.0028
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0105 0.0931 0.2038
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0357 0.3549 1
Echinococcus multilocularis pyruvate kinase 0.0021 0.0058 0.0054
Schistosoma mansoni smad1 5 8 and 0.0017 0.0019 0.0055
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0105 0.0931 0.2331
Loa Loa (eye worm) pyruvate kinase 0.004 0.0261 0.0393
Loa Loa (eye worm) hypothetical protein 0.0015 0.0003 0.0005
Echinococcus multilocularis flap endonuclease 1 0.0028 0.0136 0.0132
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0105 0.0931 0.2038
Loa Loa (eye worm) hypothetical protein 0.0267 0.2612 0.3932
Echinococcus multilocularis tar DNA binding protein 0.0065 0.0522 0.0519
Leishmania major 4-coumarate:coa ligase-like protein 0.0357 0.3549 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0105 0.0931 0.2038
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0105 0.0931 0.2038
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0357 0.3549 1
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0105 0.0931 0.342
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0604 0.1042
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0416 0.145
Mycobacterium ulcerans acyl-CoA synthetase 0.0357 0.3549 1
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0105 0.0931 1
Trichomonas vaginalis set domain proteins, putative 0.0746 0.7583 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0105 0.0931 0.2038
Schistosoma mansoni cellular tumor antigen P53 0.0053 0.0395 0.1375
Onchocerca volvulus 0.0105 0.0931 0.1014
Brugia malayi intermediate filament protein 0.0033 0.0181 0.0267
Echinococcus granulosus histone lysine methyltransferase setb 0.0094 0.0819 0.2259
Loa Loa (eye worm) hypothetical protein 0.0032 0.0175 0.0263
Schistosoma mansoni lamin 0.0033 0.0181 0.0624
Loa Loa (eye worm) transcription factor SMAD2 0.0249 0.2423 0.3647
Brugia malayi AMP-binding enzyme family protein 0.0105 0.0931 0.1397
Echinococcus multilocularis lamin dm0 0.0033 0.0181 0.0178
Loa Loa (eye worm) pyruvate kinase 0.004 0.0261 0.0393
Onchocerca volvulus 0.0094 0.0819 0.0861
Echinococcus multilocularis pyruvate kinase 0.0021 0.0058 0.0054
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0003 0.0005
Leishmania major pyruvate kinase 0.004 0.0261 0.0367
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0105 0.0931 0.2571
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0105 0.0931 0.2038
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0105 0.0931 0.2038
Onchocerca volvulus 0.0357 0.3549 0.455
Entamoeba histolytica acyl-CoA synthetase, putative 0.0357 0.3549 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0357 0.3549 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0357 0.3549 1
Plasmodium falciparum flap endonuclease 1 0.0028 0.0136 0.0305
Echinococcus granulosus TGF beta signal transducer SmadC 0.0017 0.0019 0.0043
Echinococcus multilocularis lamin 0.0033 0.0181 0.0178
Onchocerca volvulus 0.0105 0.0931 0.1014
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0181 0.0267
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0357 0.3549 1
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.0261 0.0168
Schistosoma mansoni flap endonuclease-1 0.0025 0.0108 0.0366
Brugia malayi Pyruvate kinase, M2 isozyme 0.004 0.0261 0.0388
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0357 0.3549 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0522 0.1821
Loa Loa (eye worm) hypothetical protein 0.0105 0.0931 0.1402
Schistosoma mansoni lamin 0.0033 0.0181 0.0624
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0105 0.0931 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0094 0.0819 0.2863
Loa Loa (eye worm) flap endonuclease-1 0.0028 0.0136 0.0204
Mycobacterium tuberculosis PROBABLE FATTY-ACID-CoA LIGASE FADD18 (FRAGMENT) (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.009 0.078 0.1578
Loa Loa (eye worm) RNA binding protein 0.0065 0.0522 0.0785
Loa Loa (eye worm) oxidoreductase 0.0105 0.0931 0.1402
Brugia malayi AMP-binding enzyme family protein 0.0105 0.0931 0.1397
Brugia malayi Pre-SET motif family protein 0.0656 0.6643 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0416 0.0413
Echinococcus granulosus lamin 0.0033 0.0181 0.0492
Schistosoma mansoni glutaminase 0.029 0.2851 1
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0105 0.0931 0.2038
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0604 0.1371
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0261 0.0108
Echinococcus multilocularis tumor protein p63 0.0363 0.3612 0.3609
Trypanosoma brucei pyruvate kinase 1 0.004 0.0261 0.1576
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0094 0.0819 0.2863
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0105 0.0931 1
Echinococcus multilocularis Smad4 0.0017 0.0019 0.0016
Echinococcus granulosus pyruvate kinase 0.004 0.0261 0.0714
Echinococcus granulosus pyruvate kinase 0.0021 0.0058 0.015
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0105 0.0931 1
Schistosoma mansoni acetyl-CoA synthetase 0.0105 0.0931 0.3259
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0604 0.1042
Echinococcus granulosus lamin dm0 0.0033 0.0181 0.0492
Trichomonas vaginalis antibiotic synthetase, putative 0.0105 0.0931 0.1068
Echinococcus granulosus pyruvate kinase 0.0021 0.0058 0.015
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0105 0.0931 0.2038
Brugia malayi AMP-binding enzyme family protein 0.0357 0.3549 0.534
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0105 0.0931 1
Loa Loa (eye worm) pyruvate kinase-PB 0.0028 0.0135 0.0203
Leishmania major 4-coumarate:coa ligase-like protein 0.0357 0.3549 1
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0105 0.0931 0.2038
Loa Loa (eye worm) hypothetical protein 0.0267 0.2612 0.3932
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0604 0.1664
Toxoplasma gondii pyruvate kinase PyK1 0.004 0.0261 0.2328
Mycobacterium ulcerans acyl-CoA synthetase 0.0105 0.0931 0.2038
Loa Loa (eye worm) glutaminase 0.029 0.2851 0.4291
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0105 0.0931 0.1397
Trypanosoma brucei pyruvate kinase 1, putative 0.004 0.0261 0.1576
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0416 0.145
Echinococcus multilocularis pyruvate kinase 0.004 0.0261 0.0258
Echinococcus granulosus smad 0.0017 0.0019 0.0043
Schistosoma mansoni hypothetical protein 0.0033 0.0189 0.0653
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0024 0.0031
Brugia malayi Smad1 0.0017 0.0019 0.0023
Loa Loa (eye worm) hypothetical protein 0.0033 0.0181 0.0272
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0105 0.0931 0.2038
Echinococcus granulosus flap endonuclease 1 0.0028 0.0136 0.0367
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0604 0.2108
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0105 0.0931 0.1402
Echinococcus multilocularis pyruvate kinase 0.0021 0.0058 0.0054
Echinococcus granulosus tumor protein p63 0.0363 0.3612 1
Mycobacterium ulcerans glutaminase 0.029 0.2851 0.7877
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0105 0.0931 0.2038

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.4668 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 12.9953 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 14.7157 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) 16.5113 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Inhibitors of PI5P4K: Confirmation in Primary Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] 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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