Detailed information for compound 1560373

Basic information

Technical information
  • TDR Targets ID: 1560373
  • Name: 2-amino-1-dimethylamino-5-oxo-4-thiophen-3-yl -4,6,7,8-tetrahydroquinoline-3-carbonitrile
  • MW: 314.405 | Formula: C16H18N4OS
  • H donors: 1 H acceptors: 2 LogP: 2.06 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC1=C(N)N(N(C)C)C2=C(C1c1ccsc1)C(=O)CCC2
  • InChi: 1S/C16H18N4OS/c1-19(2)20-12-4-3-5-13(21)15(12)14(10-6-7-22-9-10)11(8-17)16(20)18/h6-7,9,14H,3-5,18H2,1-2H3
  • InChiKey: VKZLHRFERVFWBJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-amino-1-dimethylamino-5-oxo-4-(3-thienyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile
  • 2-amino-1-dimethylamino-5-keto-4-(3-thienyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile
  • Oprea1_649237
  • 2-amino-1-(dimethylamino)-5-oxo-4-(3-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
  • MLS000698909
  • SMR000229273
  • Oprea1_106864

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) bromodomain containing protein 0.002 0.0169 0.0169
Echinococcus multilocularis cpg binding protein 0.0033 0.0439 0.0615
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0316 0.0512
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0022 0.0217 0.0391
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0017 0.0111 0.0111
Trichomonas vaginalis thymidine kinase, putative 0.0276 0.5367 1
Schistosoma mansoni glycogen phosphorylase 0.0106 0.1924 0.2697
Mycobacterium leprae probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK) 0.008 0.1387 1
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0017 0.0111 0.0156
Echinococcus multilocularis survival motor neuron protein 1 0.0262 0.5073 0.7109
Echinococcus multilocularis Glycosyl transferase, family 35 0.0106 0.1924 0.2697
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0369 0.0612
Brugia malayi Bromodomain containing protein 0.0085 0.1488 0.1488
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0017 0.0128 0.0179
Schistosoma mansoni thymidylate kinase 0.008 0.1387 0.1943
Brugia malayi hypothetical protein 0.029 0.5636 0.5636
Mycobacterium tuberculosis Conserved protein 0.0043 0.0654 0.0998
Echinococcus granulosus glycogen phosphorylase 0.0106 0.1924 0.2697
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0053 0.0838 0.1174
Brugia malayi Isocitrate dehydrogenase 0.0017 0.0128 0.0128
Echinococcus granulosus zinc finger protein 0.0023 0.0246 0.0344
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0654 0.0916
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0128 0.0179
Treponema pallidum ribonuclease H (rnhA) 0.0022 0.0217 0.0391
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0654 0.0998
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0169 0.033
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.004 0.0579 0.0811
Schistosoma mansoni phosphoglucomutase 0.0022 0.0217 0.0304
Loa Loa (eye worm) glycogen phosphorylase 0.0106 0.1924 0.1924
Brugia malayi RNase H family protein 0.0022 0.0217 0.0217
Trypanosoma brucei thymidine kinase 0.0276 0.5367 1
Schistosoma mansoni hypothetical protein 0.0082 0.1435 0.2012
Mycobacterium ulcerans hypothetical protein 0.0043 0.0654 0.398
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0053 0.0854 0.0854
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0111 0.0127
Onchocerca volvulus 0.0216 0.4137 0.4137
Giardia lamblia Deoxynucleoside kinase 0.0374 0.734 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0062 0.1019 0.1727
Toxoplasma gondii histone lysine methyltransferase SET1 0.0059 0.0967 0.6669
Entamoeba histolytica hypothetical protein 0.004 0.058 0.079
Trypanosoma cruzi ISWI complex protein 0.0017 0.0116 0.001
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0111 0.0127
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0523 0.09
Trypanosoma cruzi ribonuclease H1, putative 0.0022 0.0217 0.0201
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0523 0.09
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.0031 0.0407 0.0562
Onchocerca volvulus 0.0034 0.0455 0.0455
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.005 0.0781 0.1274
Schistosoma mansoni phosphoglucomutase 0.0022 0.0217 0.0304
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0654 0.1032
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0892 0.0892
Schistosoma mansoni ap endonuclease 0.002 0.0169 0.0237
Mycobacterium tuberculosis Conserved protein 0.0043 0.0654 0.0998
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0128 0.0179
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0156 0.0218
Loa Loa (eye worm) hypothetical protein 0.029 0.5636 0.5636
Echinococcus multilocularis zinc finger protein 0.0023 0.0246 0.0344
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0024 0.025 0.0264
Giardia lamblia Thymidine kinase 0.0276 0.5367 0.7249
Entamoeba histolytica Thymidylate kinase, putative 0.008 0.1387 0.2342
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0046 0.0703 0.4388
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0575 0.0997
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0654 0.0998
Echinococcus multilocularis ribonuclease H1 0.0022 0.0217 0.0304
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0128 0.0031
Onchocerca volvulus 0.0053 0.0854 0.0854
Entamoeba histolytica hypothetical protein 0.004 0.058 0.079
Onchocerca volvulus Ribonuclease H1 homolog 0.0022 0.0217 0.0217
Loa Loa (eye worm) hypothetical protein 0.0216 0.4137 0.4137
Loa Loa (eye worm) isocitrate dehydrogenase 0.0017 0.0128 0.0128
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0523 0.09
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.1019 0.1428
Leishmania major hypothetical protein, conserved 0.0031 0.0407 0.0562
Giardia lamblia Ribonuclease H 0.0022 0.0217 0.0066
Onchocerca volvulus 0.0505 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0316 0.0512
Trypanosoma cruzi thymidylate kinase, putative 0.008 0.1387 0.2427
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0169 0.0079
Loa Loa (eye worm) hypothetical protein 0.029 0.5636 0.5636
Entamoeba histolytica glycogenphosphorylase, putative 0.0046 0.0703 0.1028
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0523 0.09
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0654 0.0998
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0034 0.0455 0.2604
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0654 0.0998
Onchocerca volvulus Glycogen phosphorylase homolog 0.0106 0.1924 0.1924
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0312 0.0438
Toxoplasma gondii thymidylate kinase 0.008 0.1387 1
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.005 0.0781 0.1094
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0169 0.033
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0068 0.1145 0.1605
Leishmania major hypothetical protein, conserved 0.0043 0.0654 0.1032
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0654 0.1146
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.005 0.0781 0.1274
Onchocerca volvulus 0.0263 0.5095 0.5095
Trypanosoma cruzi ribonuclease H1, putative 0.0022 0.0217 0.0201
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.029 0.5636 0.5636
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0017 0.0128 0.0031
Loa Loa (eye worm) hypothetical protein 0.0216 0.4137 0.4137
Entamoeba histolytica hypothetical protein 0.004 0.058 0.079
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0654 0.398
Trypanosoma cruzi ISWI complex protein 0.0017 0.0116 0.001
Entamoeba histolytica hypothetical protein 0.004 0.058 0.079
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0169 0.0169
Schistosoma mansoni phosphoglucomutase 0.0022 0.0217 0.0304
Brugia malayi Pre-SET motif family protein 0.0034 0.0455 0.0455
Trypanosoma brucei unspecified product 0.0024 0.0254 0.0272
Loa Loa (eye worm) hypothetical protein 0.0262 0.5073 0.5073
Onchocerca volvulus 0.0043 0.0654 0.0654
Brugia malayi thymidylate kinase 0.008 0.1387 0.1387
Trypanosoma brucei ingi protein (ORF1) 0.0024 0.0254 0.0272
Brugia malayi hypothetical protein 0.0216 0.4137 0.4137
Brugia malayi hypothetical protein 0.004 0.058 0.058
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0169 0.011
Loa Loa (eye worm) hypothetical protein 0.0043 0.0654 0.0654
Echinococcus granulosus glycogen phosphorylase 0.0106 0.1924 0.2697
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0017 0.0128 0.0031
Onchocerca volvulus 0.0043 0.0654 0.0654
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.5397 1
Echinococcus granulosus Glycosyl transferase family 35 0.0106 0.1924 0.2697
Leishmania major hypothetical protein, conserved 0.0017 0.0116 0.001
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.029 0.5636 0.5636
Chlamydia trachomatis glycogen phosphorylase 0.0106 0.1924 1
Onchocerca volvulus 0.0505 1 1
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0169 0.0236
Loa Loa (eye worm) hypothetical protein 0.0043 0.0654 0.0654
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.005 0.0781 0.1094
Echinococcus granulosus geminin 0.0364 0.7136 1
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0017 0.0111 0.0156
Brugia malayi Pre-SET motif family protein 0.0231 0.4451 0.4451
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.1019 0.698
Onchocerca volvulus 0.0029 0.0363 0.0363
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0781 0.1384
Toxoplasma gondii ribonuclease HI protein 0.0022 0.0217 0.0708
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.004 0.0575 0.0883
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0369 0.0612
Mycobacterium tuberculosis Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK) 0.008 0.1387 0.2389
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0375 0.0623
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0312 0.0438
Loa Loa (eye worm) beta-lactamase 0.0043 0.0654 0.0654
Trypanosoma brucei thymidylate kinase, putative 0.008 0.1387 0.2427
Trichomonas vaginalis esterase, putative 0.0043 0.0654 0.1146
Schistosoma mansoni glycogen phosphorylase 0.0106 0.1924 0.2697
Schistosoma mansoni transcription factor LCR-F1 0.004 0.058 0.0813
Brugia malayi F/Y-rich N-terminus family protein 0.0012 0.0021 0.0021
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0053 0.0838 0.1174
Echinococcus granulosus thymidylate kinase 0.008 0.1387 0.1943
Trypanosoma brucei hypothetical protein, conserved 0.0024 0.0254 0.0272
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0363 0.0363
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0781 0.1384
Giardia lamblia Glycogen phosphorylase 0.0106 0.1924 0.2448
Giardia lamblia CDC8 0.008 0.1387 0.1698
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.029 0.5636 0.5636
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0021 0.0192 0.0153
Schistosoma mansoni hypothetical protein 0.0057 0.0933 0.1307
Leishmania major thymidine kinase, putative 0.0276 0.5367 1
Brugia malayi beta-lactamase family protein 0.0043 0.0654 0.0654
Trypanosoma cruzi thymidylate kinase, putative 0.008 0.1387 0.2427
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0053 0.0838 0.1174
Trichomonas vaginalis set domain proteins, putative 0.0263 0.5095 0.9489
Schistosoma mansoni zinc finger protein 0.0023 0.0246 0.0344
Schistosoma mansoni hypothetical protein 0.0023 0.0236 0.0331
Brugia malayi CXXC zinc finger family protein 0.0029 0.0363 0.0363
Schistosoma mansoni cpg binding protein 0.0033 0.0439 0.0615
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.0455 0.0638
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0128 0.0179
Loa Loa (eye worm) hypothetical protein 0.0049 0.0763 0.0763
Brugia malayi LBP / BPI / CETP family, N-terminal domain containing protein 0.0505 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0375 0.0623
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0781 0.1384
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0654 0.0998
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0427 0.0721
Loa Loa (eye worm) phosphatidylinositol 3 0.0017 0.0111 0.0111
Loa Loa (eye worm) hypothetical protein 0.0078 0.1358 0.1358
Entamoeba histolytica glycogen phosphorylase, putative 0.0106 0.1924 0.3377
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0169 0.0169
Onchocerca volvulus 0.029 0.5636 0.5636
Loa Loa (eye worm) hypothetical protein 0.0042 0.0633 0.0633
Schistosoma mansoni thymidylate kinase 0.008 0.1387 0.1943
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0505 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0523 0.09
Echinococcus multilocularis geminin 0.0364 0.7136 1
Entamoeba histolytica thymidine kinase, putative 0.0276 0.5367 1
Toxoplasma gondii target of rapamycin (TOR), putative 0.0037 0.0523 0.3137
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0169 0.0237
Trichomonas vaginalis thymidylate kinase, putative 0.008 0.1387 0.2523
Onchocerca volvulus 0.0043 0.0654 0.0654
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0024 0.0254 0.0272
Brugia malayi RNase H family protein 0.0022 0.0217 0.0217
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0034 0.0455 0.0638
Loa Loa (eye worm) hypothetical protein 0.0216 0.4137 0.4137
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0128 0.0031
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0654 0.1146
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0317 0.0514
Onchocerca volvulus 0.0505 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0169 0.011
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.058 0.0813
Schistosoma mansoni hypothetical protein 0.004 0.058 0.0813
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0418 0.0586
Loa Loa (eye worm) hypothetical protein 0.0043 0.0654 0.0654
Trichomonas vaginalis glycogen phosphorylase, putative 0.0106 0.1924 0.3533
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0654 0.0654
Schistosoma mansoni hypothetical protein 0.0364 0.7136 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0111 0.0127
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.1019 0.698
Entamoeba histolytica glycogen phosphorylase, putative 0.0046 0.0703 0.1028
Loa Loa (eye worm) hypothetical protein 0.0043 0.0654 0.0654
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0892 0.125
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.1048 0.1468
Schistosoma mansoni zinc finger protein 0.0017 0.0116 0.0163
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0062 0.1019 0.1692
Schistosoma mansoni glycogen phosphorylase 0.0046 0.0703 0.0986
Brugia malayi LBP/BPI 0.0216 0.4137 0.4137
Trypanosoma brucei ingi protein (ORF1) 0.0024 0.0254 0.0272
Loa Loa (eye worm) phosphatidylinositol 3 0.005 0.0781 0.0781
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0169 0.0237
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0156 0.0218
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0523 0.09
Wolbachia endosymbiont of Brugia malayi thymidylate kinase 0.008 0.1387 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.005 0.0781 0.0781
Onchocerca volvulus 0.029 0.5636 0.5636
Loa Loa (eye worm) PHD-finger family protein 0.0023 0.0236 0.0236
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0654 0.0998
Schistosoma mansoni cpg binding protein 0.0033 0.0439 0.0615
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.005 0.0781 0.1274
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0169 0.011
Schistosoma mansoni cpg binding protein 0.0029 0.0363 0.0508
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0654 0.0998
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0128 0.0031
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0523 0.09
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0169 0.011
Echinococcus granulosus methyl CpG binding domain protein 2 0.0019 0.0156 0.0218
Trypanosoma brucei target of rapamycin kinase 3, putative 0.004 0.0575 0.0883
Echinococcus granulosus ribonuclease H1 0.0022 0.0217 0.0304
Schistosoma mansoni hypothetical protein 0.008 0.1387 0.1943
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0575 0.0997
Echinococcus granulosus survival motor neuron protein 1 0.0262 0.5073 0.7109
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0317 0.0514
Loa Loa (eye worm) hypothetical protein 0.0043 0.0654 0.0654
Onchocerca volvulus 0.0505 1 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0654 0.1146
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.1019 0.1428
Toxoplasma gondii ABC1 family protein 0.0043 0.0654 0.4179
Trichomonas vaginalis ribonuclease H1, putative 0.0022 0.0217 0.0325
Loa Loa (eye worm) hypothetical protein 0.0216 0.4137 0.4137
Brugia malayi isocitrate dehydrogenase 0.0017 0.0128 0.0128
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0068 0.1145 0.1605
Brugia malayi PHD-finger family protein 0.0029 0.0365 0.0365
Schistosoma mansoni hypothetical protein 0.0017 0.0116 0.0163
Onchocerca volvulus 0.0505 1 1
Schistosoma mansoni hypothetical protein 0.0364 0.7136 1
Trichomonas vaginalis thymidylate kinase, putative 0.008 0.1387 0.2523
Echinococcus multilocularis isocitrate dehydrogenase 0.0017 0.0128 0.0179
Trichomonas vaginalis glycogen phosphorylase, putative 0.0106 0.1924 0.3533
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0892 0.0892
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0892 0.125
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0654 0.1032
Leishmania major thymidylate kinase-like protein 0.008 0.1387 0.2427
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.1019 0.698
Loa Loa (eye worm) hypothetical protein 0.0505 1 1
Onchocerca volvulus Putative thymidylate kinase 0.008 0.1387 0.1387
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0654 0.398
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.005 0.0781 0.1176
Trichomonas vaginalis PIKK family atypical protein kinase 0.0042 0.0633 0.1108
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0575 0.0997
Brugia malayi beta-lactamase 0.0043 0.0654 0.0654
Schistosoma mansoni survival motor neuron protein 0.0053 0.0854 0.1197
Trypanosoma brucei thymidylate kinase, putative 0.008 0.1387 0.2427
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0111 0.0127
Plasmodium vivax thymidylate kinase, putative 0.008 0.1387 1
Schistosoma mansoni bromodomain containing protein 0.0072 0.1225 0.1717
Onchocerca volvulus 0.0505 1 1
Mycobacterium ulcerans lipase LipD 0.0043 0.0654 0.398
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0316 0.0512
Loa Loa (eye worm) hypothetical protein 0.029 0.5636 0.5636
Onchocerca volvulus 0.0505 1 1
Brugia malayi beta-lactamase family protein 0.0043 0.0654 0.0654
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.029 0.5636 0.5636
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.005 0.0781 0.1176
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0654 0.4179
Mycobacterium tuberculosis Conserved protein 0.0043 0.0654 0.0998
Brugia malayi Bromodomain containing protein 0.0042 0.0632 0.0632
Brugia malayi follicle stimulating hormone receptor 0.0259 0.5017 0.5017
Entamoeba histolytica glycogen phosphorylase, putative 0.0046 0.0703 0.1028
Entamoeba histolytica glycogen phosphorylase, putative 0.0106 0.1924 0.3377
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0317 0.0514
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0654 0.1032
Echinococcus granulosus histone lysine methyltransferase setb 0.0053 0.0838 0.1174
Onchocerca volvulus 0.0505 1 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0654 0.0916
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.005 0.0781 0.1274
Trypanosoma cruzi thymidine kinase, putative 0.0276 0.5367 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0017 0.0128 0.0179
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.005 0.0781 0.1274
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0017 0.0111 0.0156
Brugia malayi carbohydrate phosphorylase 0.0106 0.1924 0.1924
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0169 0.0236
Trypanosoma cruzi thymidine kinase, putative 0.0276 0.5367 1
Brugia malayi RNase H family protein 0.0022 0.0217 0.0217
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0892 0.125
Leishmania major ribonuclease H1, putative 0.0022 0.0217 0.0201
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.0505 1 1
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0046 0.0703 0.1093
Echinococcus multilocularis glycogen phosphorylase 0.0106 0.1924 0.2697
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0654 0.0916
Loa Loa (eye worm) hypothetical protein 0.0043 0.0654 0.0654
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.004 0.0579 0.0811
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.005 0.0781 0.1094
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0375 0.0623
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0111 0.0127
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0317 0.0514
Plasmodium vivax SET domain protein, putative 0.0034 0.0455 0.2604
Trypanosoma brucei ribonuclease H1 0.0022 0.0217 0.0201
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0312 0.0438
Giardia lamblia GTOR 0.005 0.0781 0.0853
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0654 0.0916
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0017 0.0128 0.0179
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.029 0.5636 0.5636
Schistosoma mansoni ap endonuclease 0.002 0.0169 0.0237
Trichomonas vaginalis conserved hypothetical protein 0.0216 0.4137 0.769
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0892 0.125
Treponema pallidum thymidylate kinase (tmk) 0.008 0.1387 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0259 0.5017 0.5017
Trichomonas vaginalis thymidine kinase, putative 0.0276 0.5367 1
Toxoplasma gondii exonuclease III APE 0.002 0.0169 0.033
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0892 0.125
Plasmodium falciparum thymidylate kinase 0.008 0.1387 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0654 0.1146
Brugia malayi hypothetical protein 0.0262 0.5073 0.5073
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0455 0.0638
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0654 0.0654
Echinococcus multilocularis thymidylate kinase 0.008 0.1387 0.1943
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0575 0.0997
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.058 0.0813
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.1019 0.1428
Loa Loa (eye worm) hypothetical protein 0.0053 0.0838 0.0838
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.1019 0.1428
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0019 0.0156 0.0218
Loa Loa (eye worm) thymidylate kinase 0.008 0.1387 0.1387
Trypanosoma brucei ISWI complex protein 0.0017 0.0116 0.001
Trypanosoma cruzi target of rapamycin kinase 3 0.004 0.0575 0.0883
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0575 0.0997
Loa Loa (eye worm) hypothetical protein 0.029 0.5636 0.5636
Echinococcus granulosus cpg binding protein 0.0033 0.0439 0.0615
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0449 0.0761
Brugia malayi hypothetical protein 0.029 0.5636 0.5636
Echinococcus multilocularis glycogen phosphorylase 0.0106 0.1924 0.2697
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0892 0.125
Mycobacterium ulcerans beta-lactamase 0.0043 0.0654 0.398
Trichomonas vaginalis thymidine kinase, putative 0.0276 0.5367 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0892 0.125
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0231 0.4451 0.4451
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0654 0.1146
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.1019 0.708
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.0031 0.0407 0.0562
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.005 0.0781 0.1274
Loa Loa (eye worm) hypothetical protein 0.0045 0.0686 0.0686
Mycobacterium ulcerans thymidylate kinase 0.008 0.1387 1
Loa Loa (eye worm) hypothetical protein 0.029 0.5636 0.5636
Schistosoma mansoni hypothetical protein 0.0053 0.0854 0.1197
Trypanosoma brucei RNA helicase, putative 0.0082 0.1435 0.252

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.8584 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) 9.285 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) 50.1187 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) 75.6863 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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