Detailed information for compound 697743

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 432.874 | Formula: C20H15ClF2N4OS
  • H donors: 1 H acceptors: 3 LogP: 5.01 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)c1nc2n(n1)c(c(s2)CCNC(=O)c1ccc(c(c1)F)F)C
  • InChi: 1S/C20H15ClF2N4OS/c1-11-17(8-9-24-19(28)13-4-7-15(22)16(23)10-13)29-20-25-18(26-27(11)20)12-2-5-14(21)6-3-12/h2-7,10H,8-9H2,1H3,(H,24,28)
  • InChiKey: ZDNAHJWBHTVFNG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

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

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0075 0.0709 0.2679
Plasmodium falciparum pyruvate kinase 0.0205 0.2587 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.0159 0.0587
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0.0159 0.0019
Leishmania major alpha glucosidase II subunit, putative 0.0037 0.0159 0.0533
Echinococcus multilocularis pyruvate kinase 0.0205 0.2587 0.2587
Echinococcus multilocularis pyruvate kinase 0.0105 0.1146 0.1146
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0159 0.0058
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.0709 0.2312
Loa Loa (eye worm) MH2 domain-containing protein 0.0378 0.5105 0.5111
Loa Loa (eye worm) inositol-1 0.0036 0.0145 0.0145
Brugia malayi hypothetical protein 0.0505 0.6933 0.6942
Brugia malayi Pyruvate kinase, M2 isozyme 0.0205 0.2587 0.259
Schistosoma mansoni hypothetical protein 0.0188 0.2354 0.2356
Schistosoma mansoni hypothetical protein 0.0177 0.2193 0.2195
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0159 0.0019
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.0062 0.0523 0.0523
Brugia malayi Glycosyl hydrolases family 31 protein 0.0166 0.2025 0.2027
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0716 0.9988 1
Echinococcus granulosus survival motor neuron protein 1 0.0505 0.6933 0.6933
Echinococcus multilocularis pyruvate kinase 0.0105 0.1146 0.1146
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.015 0.1794 0.1794
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0125 0.1436 0.1438
Trichomonas vaginalis bromodomain-containing protein, putative 0.0044 0.0264 0.0161
Schistosoma mansoni tar DNA-binding protein 0.0716 0.9988 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0709 0.071
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0075 0.0709 0.1054
Echinococcus multilocularis tar DNA binding protein 0.0716 0.9988 0.9988
Trichomonas vaginalis maltase-glucoamylase, putative 0.0037 0.0159 0.0019
Echinococcus granulosus pyruvate kinase 0.0205 0.2587 0.2587
Entamoeba histolytica acetyltransferase, GNAT family 0.004 0.0211 0.081
Loa Loa (eye worm) pyruvate kinase-PB 0.0143 0.1691 0.1694
Brugia malayi pyruvate kinase, muscle isozyme 0.0043 0.025 0.0251
Onchocerca volvulus Pyruvate kinase homolog 0.0205 0.2587 1
Toxoplasma gondii ABC1 family protein 0.0075 0.0709 0.2312
Trypanosoma brucei hypothetical protein, conserved 0.0075 0.0709 0.2312
Trypanosoma brucei pyruvate kinase 1 0.0205 0.2587 1
Loa Loa (eye worm) hypothetical protein 0.0505 0.6933 0.6942
Brugia malayi TAR-binding protein 0.0716 0.9988 1
Schistosoma mansoni inositol monophosphatase 0.0036 0.0145 0.0145
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0159 0.0058
Trichomonas vaginalis glutaminase, putative 0.0549 0.7577 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0075 0.0709 0.0709
Loa Loa (eye worm) hypothetical protein 0.0143 0.1691 0.1694
Loa Loa (eye worm) pigment dispersing factor receptor c 0.015 0.1802 0.1804
Leishmania major pyruvate kinase 0.0205 0.2587 1
Brugia malayi hypothetical protein 0.0188 0.2354 0.2356
Mycobacterium leprae Probable lipase LipE 0.0075 0.0709 0.2679
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.0315 0.0315
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.009 0.0105
Loa Loa (eye worm) pyruvate kinase 0.0043 0.025 0.0251
Loa Loa (eye worm) hypothetical protein 0.0075 0.0709 0.071
Loa Loa (eye worm) glutaminase 0.0549 0.7577 0.7586
Trichomonas vaginalis penicillin-binding protein, putative 0.0075 0.0709 0.076
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0138 0.1627 0.163
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0075 0.0709 0.091
Giardia lamblia Pyruvate kinase 0.0105 0.1146 0.3936
Leishmania major hypothetical protein, conserved 0.0075 0.0709 0.2679
Entamoeba histolytica hypothetical protein 0.0188 0.2354 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0146 0.1733 0.1733
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0075 0.0709 0.071
Echinococcus granulosus pyruvate kinase 0.0105 0.1146 0.1146
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.0709 0.076
Trichomonas vaginalis sucrase-isomaltase, putative 0.0037 0.0159 0.0019
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM23, putative 0.0125 0.1436 0.5156
Brugia malayi beta-lactamase family protein 0.0075 0.0709 0.071
Mycobacterium ulcerans lipase LipD 0.0075 0.0709 0.091
Echinococcus multilocularis lysosomal alpha glucosidase 0.0166 0.2025 0.2025
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0138 0.1627 0.163
Echinococcus granulosus neutral alpha glucosidase AB 0.0037 0.0159 0.0159
Onchocerca volvulus 0.0075 0.0709 0.2679
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0125 0.1436 0.1438
Loa Loa (eye worm) hypothetical protein 0.015 0.1802 0.1804
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0044 0.0264 0.0489
Trypanosoma cruzi pyruvate kinase 2, putative 0.0205 0.2587 1
Giardia lamblia Pyruvate kinase 0.0205 0.2587 1
Mycobacterium tuberculosis Conserved protein 0.0075 0.0709 0.1054
Mycobacterium leprae Probable pyruvate kinase PykA 0.0205 0.2587 1
Echinococcus granulosus pyruvate kinase 0.0105 0.1146 0.1146
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0075 0.0709 0.071
Echinococcus multilocularis pyruvate kinase 0.0161 0.1963 0.1963
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0138 0.1627 0.1627
Brugia malayi Pyruvate kinase, muscle isozyme 0.0205 0.2587 0.259
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0159 0.0019
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0.0159 0.0019
Schistosoma mansoni tar DNA-binding protein 0.0716 0.9988 1
Schistosoma mansoni tar DNA-binding protein 0.0716 0.9988 1
Leishmania major pyruvate kinase 0.0205 0.2587 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0145 0.0478
Entamoeba histolytica pyruvate kinase, putative 0.0143 0.1691 0.716
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0138 0.1627 0.163
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0166 0.2025 0.2027
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.015 0.1794 0.1796
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0037 0.0159 0.0159
Trypanosoma cruzi pyruvate kinase 2, putative 0.0205 0.2587 1
Entamoeba histolytica hypothetical protein 0.0188 0.2354 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0138 0.1627 0.1627
Loa Loa (eye worm) hypothetical protein 0.0027 0.0022 0.0022
Echinococcus granulosus pyruvate kinase 0.0205 0.2587 0.2587
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0145 0.0145
Entamoeba histolytica hypothetical protein 0.0188 0.2354 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0709 0.071
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0075 0.0709 0.071
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.0315 0.0315
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0138 0.1627 0.163
Loa Loa (eye worm) RNA binding protein 0.0716 0.9988 1
Onchocerca volvulus 0.0075 0.0709 0.2679
Toxoplasma gondii pyruvate kinase PyKII 0.0105 0.1146 0.4101
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0075 0.0709 0.1054
Schistosoma mansoni pyruvate kinase 0.0205 0.2587 0.259
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0044 0.0264 0.0161
Onchocerca volvulus Pyruvate kinase homolog 0.0205 0.2587 1
Schistosoma mansoni hypothetical protein 0.0103 0.1114 0.1115
Loa Loa (eye worm) pyruvate kinase 0.0205 0.2587 0.259
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.015 0.1802 0.1804
Entamoeba histolytica hypothetical protein 0.0188 0.2354 1
Brugia malayi acetyltransferase, GNAT family protein 0.015 0.1794 0.1796
Toxoplasma gondii pyruvate kinase PyK1 0.0205 0.2587 1
Schistosoma mansoni survival motor neuron protein 0.0103 0.1117 0.1118
Loa Loa (eye worm) hypothetical protein 0.0075 0.0709 0.071
Echinococcus granulosus pyruvate kinase 0.0105 0.1146 0.1146
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0103 0.1117 0.1118
Loa Loa (eye worm) TAR-binding protein 0.0716 0.9988 1
Schistosoma mansoni pyruvate kinase 0.0205 0.2587 0.259
Loa Loa (eye worm) glutaminase 2 0.0549 0.7577 0.7586
Plasmodium vivax pyruvate kinase 2, putative 0.0105 0.1146 0.3797
Loa Loa (eye worm) pyruvate kinase 0.0205 0.2587 0.259
Brugia malayi RNA binding protein 0.0716 0.9988 1
Schistosoma mansoni hypothetical protein 0.0048 0.0315 0.0315
Mycobacterium tuberculosis Probable hydrolase 0.0075 0.0709 0.1054
Trichomonas vaginalis pyruvate kinase, putative 0.0205 0.2587 0.3286
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0159 0.0019
Echinococcus multilocularis mitochondrial import inner membrane translocase subunit TIM23, putative 0.0125 0.1436 0.1436
Brugia malayi pyruvate kinase 0.0043 0.025 0.0251
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0145 0.0162
Brugia malayi Calcitonin receptor-like protein seb-1 0.015 0.1802 0.1804
Trypanosoma brucei glucosidase, putative 0.0037 0.0159 0.0058
Toxoplasma gondii mitochondrial inner membrane translocase subunit TIM17, putative 0.0125 0.1436 0.5288
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0138 0.1627 0.1627
Trichomonas vaginalis pyruvate kinase, putative 0.0205 0.2587 0.3286
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0188 0.2354 0.2354
Loa Loa (eye worm) beta-lactamase 0.0075 0.0709 0.071
Mycobacterium tuberculosis Conserved protein 0.0075 0.0709 0.1054
Plasmodium vivax hypothetical protein, conserved 0.0075 0.0709 0.1917
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0022 0.0022
Schistosoma mansoni hypothetical protein 0.0177 0.2193 0.2195
Schistosoma mansoni tar DNA-binding protein 0.0716 0.9988 1
Brugia malayi latrophilin 2 splice variant baaae 0.0103 0.1114 0.1115
Trichomonas vaginalis esterase, putative 0.0075 0.0709 0.076
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.0315 0.0315
Trypanosoma brucei pyruvate kinase 1, putative 0.0205 0.2587 1
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.0709 0.2312
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.0709 0.076
Brugia malayi glutaminase DH11.1 0.0549 0.7577 0.7586
Mycobacterium tuberculosis Probable lipase LipE 0.0075 0.0709 0.1054
Trichomonas vaginalis penicillin-binding protein, putative 0.0075 0.0709 0.076
Brugia malayi beta-lactamase family protein 0.0075 0.0709 0.071
Schistosoma mansoni tar DNA-binding protein 0.0716 0.9988 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0315 0.0315
Schistosoma mansoni alpha glucosidase 0.0037 0.0159 0.0159
Echinococcus granulosus tar DNA binding protein 0.0716 0.9988 0.9988
Echinococcus granulosus lysosomal alpha glucosidase 0.0166 0.2025 0.2025
Loa Loa (eye worm) acetyltransferase 0.015 0.1794 0.1796
Mycobacterium ulcerans esterase/lipase LipP 0.0075 0.0709 0.091
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.0315 0.0315
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.0159 0.0587
Onchocerca volvulus Pyruvate kinase homolog 0.0205 0.2587 1
Echinococcus multilocularis pyruvate kinase 0.0205 0.2587 0.2587
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0044 0.0264 0.0489
Echinococcus multilocularis survival motor neuron protein 1 0.0505 0.6933 0.6933
Mycobacterium tuberculosis Conserved protein 0.0075 0.0709 0.1054
Echinococcus multilocularis neutral alpha glucosidase AB 0.0037 0.0159 0.0159
Echinococcus granulosus GPCR family 2 0.0048 0.0315 0.0315
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0478 0.6543 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0075 0.0709 0.1054
Schistosoma mansoni hypothetical protein 0.0125 0.1436 0.1438
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0145 0.0145
Echinococcus multilocularis lysosomal alpha glucosidase 0.0166 0.2025 0.2025
Schistosoma mansoni hypothetical protein 0.0048 0.0315 0.0315
Brugia malayi MH2 domain containing protein 0.0378 0.5105 0.5111
Brugia malayi RNA recognition motif domain containing protein 0.0716 0.9988 1
Mycobacterium tuberculosis Probable lipase LipD 0.0075 0.0709 0.1054
Mycobacterium ulcerans hypothetical protein 0.0075 0.0709 0.091
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.0315 0.0315
Schistosoma mansoni hypothetical protein 0.0048 0.0315 0.0315
Mycobacterium ulcerans pyruvate kinase 0.0205 0.2587 0.3395
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0138 0.1627 0.1627
Brugia malayi hypothetical protein 0.0113 0.1261 0.1262
Schistosoma mansoni alpha-glucosidase 0.0143 0.1691 0.1693
Brugia malayi beta-lactamase 0.0075 0.0709 0.071
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0032 0.009 0.0266
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0159 0.0019
Plasmodium falciparum pyruvate kinase 2 0.0105 0.1146 0.3936
Brugia malayi Glycosyl hydrolases family 31 protein 0.0037 0.0159 0.0159
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0125 0.1436 0.1438
Loa Loa (eye worm) hypothetical protein 0.0103 0.1114 0.1115
Mycobacterium tuberculosis Probable esterase LipL 0.0075 0.0709 0.1054
Loa Loa (eye worm) hypothetical protein 0.0205 0.2587 0.259
Loa Loa (eye worm) pyruvate kinase 0.0205 0.2587 0.259
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.0709 0.076
Schistosoma mansoni hypothetical protein 0.0048 0.0315 0.0315
Schistosoma mansoni glutaminase 0.0549 0.7577 0.7586
Loa Loa (eye worm) hypothetical protein 0.0027 0.0022 0.0022
Schistosoma mansoni pyruvate kinase 0.0105 0.1146 0.1148
Schistosoma mansoni cellular tumor antigen P53 0.0105 0.1145 0.1146
Echinococcus granulosus histone acetyltransferase KAT2B 0.0044 0.0264 0.0264
Echinococcus multilocularis tumor protein p63 0.0717 1 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0145 0.5
Mycobacterium ulcerans glutaminase 0.0549 0.7577 1
Chlamydia trachomatis pyruvate kinase 0.0205 0.2587 0.5
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0022 0.0022
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0205 0.2587 0.3934
Loa Loa (eye worm) hypothetical protein 0.0125 0.1436 0.1438
Schistosoma mansoni inositol monophosphatase 0.0036 0.0145 0.0145
Brugia malayi Latrophilin receptor protein 2 0.0048 0.0315 0.0315
Echinococcus multilocularis pyruvate kinase 0.0105 0.1146 0.1146
Schistosoma mansoni hypothetical protein 0.0103 0.1117 0.1118
Loa Loa (eye worm) hypothetical protein 0.0075 0.0709 0.071
Brugia malayi hypothetical protein 0.0113 0.1261 0.1262
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0022 0.0022
Onchocerca volvulus 0.0105 0.1145 0.4378
Plasmodium vivax pyruvate kinase, putative 0.0205 0.2587 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0075 0.0709 0.071
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0037 0.0159 0.0058
Echinococcus multilocularis geminin 0.0177 0.2193 0.2193
Schistosoma mansoni alpha-glucosidase 0.0143 0.1691 0.1693
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0138 0.1627 0.163
Brugia malayi Inositol-1 0.0036 0.0145 0.0145
Loa Loa (eye worm) hypothetical protein 0.0075 0.0709 0.071
Loa Loa (eye worm) transcription factor SMAD2 0.0378 0.5105 0.5111
Echinococcus multilocularis GPCR, family 2 0.0048 0.0315 0.0315
Mycobacterium ulcerans beta-lactamase 0.0075 0.0709 0.091
Loa Loa (eye worm) hypothetical protein 0.0027 0.0022 0.0022
Onchocerca volvulus 0.0103 0.1117 0.4268
Onchocerca volvulus 0.0096 0.1014 0.3866
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0159 0.0019
Schistosoma mansoni transcription factor LCR-F1 0.0188 0.2354 0.2356
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0188 0.2354 0.2354
Echinococcus granulosus geminin 0.0177 0.2193 0.2193
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM23, putative 0.0125 0.1436 0.5045
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0145 0.0526
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.0315 0.0315
Echinococcus granulosus beta LACTamase domain containing family member 0.0075 0.0709 0.0709
Loa Loa (eye worm) hypothetical protein 0.0105 0.1145 0.1146
Mycobacterium leprae conserved hypothetical protein 0.0075 0.0709 0.2679

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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