Detailed information for compound 1280650

Basic information

Technical information
  • TDR Targets ID: 1280650
  • Name: N-cyclooctyl-2-methylfuran-3-carboxamide
  • MW: 235.322 | Formula: C14H21NO2
  • H donors: 1 H acceptors: 1 LogP: 3.56 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccoc1C)NC1CCCCCCC1
  • InChi: 1S/C14H21NO2/c1-11-13(9-10-17-11)14(16)15-12-7-5-3-2-4-6-8-12/h9-10,12H,2-8H2,1H3,(H,15,16)
  • InChiKey: RZBVILMBKQJOKN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-cyclooctyl-2-methyl-furan-3-carboxamide
  • N-cyclooctyl-2-methyl-3-furancarboxamide
  • N-cyclooctyl-2-methyl-3-furamide
  • MLS000701016
  • SMR000227207
  • Oprea1_042883
  • ZINC00483273
  • AK-968/11986377

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens synuclein, alpha (non A4 component of amyloid precursor) Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Human immunodeficiency virus 1 Aberrant vpr protein Starlite/ChEMBL No references
Homo sapiens breast cancer 1, early onset Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi 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
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin 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
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic 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
Onchocerca volvulus 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_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) 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
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0036 0.0604 0.0664
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0025 0.0232 0.0633
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0584 0.0645
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0188 0.016
Echinococcus granulosus tar DNA binding protein 0.0076 0.1899 0.2156
Leishmania major hypothetical protein, conserved 0.0036 0.0604 0.0678
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0036 0.0584 0.0767
Mycobacterium tuberculosis Conserved protein 0.0025 0.0232 0.0057
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.0661 0.077
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0188 0.0207
Schistosoma mansoni hypothetical protein 0.0041 0.0762 0.0715
Onchocerca volvulus 0.03 0.9103 1
Onchocerca volvulus 0.0238 0.7105 0.7703
Loa Loa (eye worm) thioredoxin reductase 0.0103 0.2744 0.3015
Leishmania major DNA polymerase eta, putative 0.0054 0.1178 0.1612
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0405 0.0355
Trypanosoma brucei trypanothione reductase 0.0103 0.2744 0.4166
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0873 1
Plasmodium falciparum glutathione reductase 0.0103 0.2744 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0405 0.0355
Onchocerca volvulus 0.0036 0.0604 0.0229
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0604 0.0678
Loa Loa (eye worm) hypothetical protein 0.0041 0.0762 0.0838
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0604 0.607
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0873 0.099
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0873 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0723 0.0165
Echinococcus multilocularis citrate lyase subunit beta protein 0.0025 0.0232 0.021
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0604 0.0601
Echinococcus multilocularis dna polymerase eta 0.0054 0.1178 0.1314
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0188 0.016
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0026 0.028 0.0308
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.8623 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0209 0.6174 0.6783
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0873 0.1116
Echinococcus granulosus lamin 0.0033 0.0486 0.0507
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0188 0.016
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0188 0.0138
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0584 0.0645
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0025 0.0232 0.0633
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0036 0.0584 0.0642
Treponema pallidum NADH oxidase 0.0036 0.0584 0.5
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0604 0.0851
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0036 0.0584 0.0519
Mycobacterium ulcerans hypothetical protein 0.0025 0.0232 0.0633
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.0025 0.0232 0.0057
Brugia malayi beta-lactamase family protein 0.0036 0.0604 0.0664
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0604 0.607
Brugia malayi ImpB/MucB/SamB family protein 0.0054 0.1178 0.1294
Loa Loa (eye worm) hypothetical protein 0.0036 0.0604 0.0664
Mycobacterium tuberculosis Conserved protein 0.0036 0.0604 0.0545
Toxoplasma gondii thioredoxin reductase 0.0103 0.2744 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0873 0.1116
Onchocerca volvulus 0.0033 0.0486 0.0093
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0604 0.0556
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1375 0.1511
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0604 0.0545
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0836 0.0915
Brugia malayi Thioredoxin reductase 0.0103 0.2744 0.3015
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0604 0.0545
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0231 0.6883 0.8772
Mycobacterium ulcerans lipase LipD 0.0036 0.0604 0.607
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0836 0.0915
Brugia malayi Inositol-1 0.0045 0.0873 0.0959
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0405 0.0412
Plasmodium falciparum thioredoxin reductase 0.0103 0.2744 1
Loa Loa (eye worm) hypothetical protein 0.006 0.1375 0.1511
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0036 0.0584 0.0645
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0405 0.0412
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0873 0.099
Mycobacterium tuberculosis Probable oxidoreductase 0.0261 0.782 1
Trichomonas vaginalis Citrate lyase beta chain, putative 0.0025 0.0232 0.0063
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0036 0.0584 0.5781
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.0025 0.0232 0.0633
Trypanosoma cruzi trypanothione reductase, putative 0.0036 0.0584 0.0645
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0052 0.0057
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0604 0.0556
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0604 0.0545
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0604 0.0601
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0604 0.0545
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1899 0.1857
Trypanosoma brucei DNA polymerase eta, putative 0.0054 0.1178 0.1612
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0036 0.0584 0.0622
Plasmodium vivax thioredoxin reductase, putative 0.0103 0.2744 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0103 0.2744 0.3349
Loa Loa (eye worm) beta-lactamase 0.0036 0.0604 0.0664
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0036 0.0584 0.0645
Brugia malayi Pre-SET motif family protein 0.003 0.0405 0.0445
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1215 0.117
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0036 0.0584 0.0645
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0604 0.0645
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0025 0.0232 0.0071
Plasmodium vivax glutathione reductase, putative 0.0103 0.2744 1
Leishmania major DNA polymerase eta, putative 0.0038 0.0661 0.077
Schistosoma mansoni lamin 0.0033 0.0486 0.0437
Loa Loa (eye worm) hypothetical protein 0.0036 0.0604 0.0664
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0036 0.0584 0.0645
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.1312 0.1441
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0405 0.0355
Loa Loa (eye worm) hypothetical protein 0.0054 0.1178 0.1294
Schistosoma mansoni inositol monophosphatase 0.0045 0.0873 0.0826
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0873 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1899 0.1857
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0234 0.6979 0.8898
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1215 0.117
Echinococcus multilocularis lamin dm0 0.0033 0.0486 0.0507
Onchocerca volvulus 0.0033 0.0486 0.0093
Schistosoma mansoni DNA polymerase eta 0.0054 0.1178 0.1132
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1375 0.1511
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.0661 0.1094
Entamoeba histolytica hypothetical protein 0.0043 0.0836 0.9457
Echinococcus granulosus dna polymerase eta 0.0054 0.1178 0.1314
Echinococcus granulosus dna polymerase kappa 0.0023 0.0188 0.016
Loa Loa (eye worm) TAR-binding protein 0.0076 0.1899 0.2086
Mycobacterium tuberculosis Probable dehydrogenase 0.0234 0.6979 0.8898
Brugia malayi beta-lactamase 0.0036 0.0604 0.0664
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0584 0.0645
Schistosoma mansoni hypothetical protein 0.0043 0.0836 0.0789
Echinococcus multilocularis tar DNA binding protein 0.0076 0.1899 0.2156
Loa Loa (eye worm) hypothetical protein 0.0019 0.0052 0.0057
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0405 0.0355
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0036 0.0584 0.0767
Brugia malayi Pre-SET motif family protein 0.0209 0.6174 0.6783
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1215 0.1335
Loa Loa (eye worm) hypothetical protein 0.0286 0.8623 0.9472
Echinococcus granulosus thioredoxin glutathione reductase 0.0103 0.2764 0.3165
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0486 0.0534
Onchocerca volvulus 0.0036 0.0604 0.0229
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0604 0.0545
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.037 0.0371
Loa Loa (eye worm) glutathione reductase 0.0103 0.2744 0.3015
Schistosoma mansoni survival motor neuron protein 0.0058 0.1312 0.1267
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.8623 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0036 0.0584 0.0645
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0873 0.0959
Echinococcus multilocularis lamin 0.0033 0.0486 0.0507
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1899 0.1857
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0584 0.0645
Echinococcus granulosus intermediate filament protein 0.0033 0.0486 0.0507
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0036 0.0584 0.0645
Onchocerca volvulus 0.0058 0.1312 0.1043
Brugia malayi RNA binding protein 0.0076 0.1899 0.2086
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0604 0.0601
Loa Loa (eye worm) hypothetical protein 0.0033 0.0486 0.0534
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0604 0.0678
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0036 0.0584 0.0622
Echinococcus multilocularis musashi 0.0033 0.0486 0.0507
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1215 0.1335
Schistosoma mansoni intermediate filament proteins 0.0033 0.0486 0.0437
Loa Loa (eye worm) inositol-1 0.0045 0.0873 0.0959
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1215 0.117
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0486 0.0534
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0188 0.0207
Brugia malayi hypothetical protein 0.0043 0.0836 0.0919
Loa Loa (eye worm) hypothetical protein 0.0032 0.0467 0.0513
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0873 0.2002
Toxoplasma gondii ABC1 family protein 0.0036 0.0604 0.0851
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0036 0.0584 0.0645
Mycobacterium ulcerans hypothetical protein 0.0036 0.0604 0.607
Trypanosoma cruzi trypanothione reductase, putative 0.0103 0.2744 0.4166
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0604 0.0601
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0234 0.6979 0.8898
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0604 0.0645
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0036 0.0584 0.0767
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0261 0.782 1
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0604 0.0545
Entamoeba histolytica hypothetical protein 0.0043 0.0836 0.9457
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1375 0.1511
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0873 0.1116
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0234 0.6979 0.8898
Loa Loa (eye worm) hypothetical protein 0.0036 0.0604 0.0664
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0873 0.0959
Onchocerca volvulus 0.0036 0.0604 0.0229
Trypanosoma cruzi hypothetical protein, conserved 0.0214 0.6324 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0873 0.099
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0762 0.0838
Trypanosoma cruzi DNA polymerase eta, putative 0.0054 0.1178 0.1612
Trichomonas vaginalis glutathione reductase, putative 0.0036 0.0584 0.0572
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1215 0.1358
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1215 0.1358
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0261 0.782 1
Mycobacterium ulcerans beta-lactamase 0.0036 0.0604 0.607
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0486 0.0534
Mycobacterium tuberculosis Probable reductase 0.0234 0.6979 0.8898
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0036 0.0584 0.0645
Mycobacterium ulcerans hypothetical protein 0.0025 0.0232 0.0633
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0026 0.028 0.0308
Toxoplasma gondii NADPH-glutathione reductase 0.0036 0.0584 0.0767
Echinococcus granulosus lamin dm0 0.0033 0.0486 0.0507
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0584 0.0645
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0261 0.782 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0234 0.6979 0.8898
Trypanosoma brucei hypothetical protein, conserved 0.0214 0.6324 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0036 0.0584 0.0645
Schistosoma mansoni lamin 0.0033 0.0486 0.0437
Brugia malayi hypothetical protein 0.03 0.9103 1
Leishmania major hypothetical protein, conserved 0.0214 0.6324 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0604 0.0678
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0025 0.0232 0.0071
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0036 0.0584 0.5
Schistosoma mansoni hypothetical protein 0.0058 0.1312 0.1267
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1899 0.1857
Leishmania major trypanothione reductase 0.0103 0.2744 0.4166
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0873 0.1116
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.1899 0.2086
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0234 0.6979 0.8834
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1899 0.1857
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0036 0.0584 0.0645
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0036 0.0584 0.5781
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0584 0.0645
Entamoeba histolytica hypothetical protein 0.0043 0.0836 0.9457
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0052 0.0057
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.0723 0.07
Brugia malayi beta-lactamase family protein 0.0036 0.0604 0.0664
Trichomonas vaginalis set domain proteins, putative 0.0238 0.7105 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0036 0.0584 1
Brugia malayi intermediate filament protein 0.0033 0.0486 0.0534
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0025 0.0232 0.0071
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.1899 0.2086
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1215 0.1358
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0188 0.0138
Entamoeba histolytica hypothetical protein 0.0043 0.0836 0.9457
Loa Loa (eye worm) hypothetical protein 0.0036 0.0604 0.0664
Echinococcus granulosus citrate lyase subunit beta protein 0.0025 0.0232 0.021
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0052 0.0057
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0405 0.0412
Brugia malayi glutathione reductase 0.0103 0.2744 0.3015
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0604 0.0601
Brugia malayi hypothetical protein 0.0286 0.8623 0.9472
Brugia malayi TAR-binding protein 0.0076 0.1899 0.2086
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0836 0.0789
Loa Loa (eye worm) hypothetical protein 0.03 0.9103 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0405 0.0445
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0036 0.0584 0.0536
Trichomonas vaginalis mercuric reductase, putative 0.0036 0.0584 0.0572
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0604 0.0664
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0604 0.0545
Mycobacterium tuberculosis Conserved protein 0.0036 0.0604 0.0545
Trypanosoma cruzi hypothetical protein, conserved 0.0214 0.6324 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0103 0.2764 0.3165
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0036 0.0584 0.5781
Mycobacterium tuberculosis Conserved protein 0.0036 0.0604 0.0545
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0604 0.0664
Loa Loa (eye worm) RNA binding protein 0.0076 0.1899 0.2086
Loa Loa (eye worm) hypothetical protein 0.0036 0.0604 0.0664
Trichomonas vaginalis esterase, putative 0.0036 0.0604 0.0601
Schistosoma mansoni inositol monophosphatase 0.0045 0.0873 0.0826
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1215 0.1358

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.6234 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.3225 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 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) 14.1254 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 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) 20.5962 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 30.1313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] 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
Saccharomyces cerevisiae ChEMBL23
Homo sapiens 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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