Detailed information for compound 1407352

Basic information

Technical information
  • TDR Targets ID: 1407352
  • Name: 2-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-tr iazol-3-yl]sulfanylmethyl]-5-methyl-4-oxo-3H- thieno[5,4-d]pyrimidine-6-carboxylic acid
  • MW: 457.501 | Formula: C20H16FN5O3S2
  • H donors: 2 H acceptors: 7 LogP: 4.14 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCn1c(SCc2nc(O)c3c(n2)sc(c3C)C(=O)O)nnc1c1ccc(cc1)F
  • InChi: 1S/C20H16FN5O3S2/c1-3-8-26-16(11-4-6-12(21)7-5-11)24-25-20(26)30-9-13-22-17(27)14-10(2)15(19(28)29)31-18(14)23-13/h3-7H,1,8-9H2,2H3,(H,28,29)(H,22,23,27)
  • InChiKey: MZHNNCLXZNPEOT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[4-allyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[5,4-d]pyrimidine-6-carboxylic acid
  • 2-[[[4-allyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-5-methyl-4-oxo-3H-thieno[5,4-d]pyrimidine-6-carboxylic acid
  • 2-[[[4-allyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-keto-5-methyl-3H-thieno[5,4-d]pyrimidine-6-carboxylic acid
  • MLS000409277
  • SMR000243643
  • T5306280

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
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
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0058 0.0064 0.0055
Plasmodium falciparum importin beta, putative 0.0044 0.0036 0.8723
Brugia malayi hypoxia-induced factor 1 0.0074 0.0096 0.0087
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0143 0.0231 0.0222
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0032 0.0168
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.0077 0.0067
Giardia lamblia NH3-dependent NAD+ synthetase 0.0046 0.004 0.0935
Entamoeba histolytica NAD synthetase, putative 0.0046 0.004 0.1043
Schistosoma mansoni neuroligin 3 (S09 family) 0.0861 0.1648 0.1645
Echinococcus granulosus snurportin 1 0.0468 0.0872 0.0863
Echinococcus granulosus lamin dm0 0.0107 0.016 0.0151
Mycobacterium ulcerans penicillin-binding protein PbpA 0.0176 0.0297 0.0457
Treponema pallidum serine-type D-Ala-D-Ala carboxypeptidase (dacC) 0.0266 0.0474 0.3827
Chlamydia trachomatis dipeptidase 0.0242 0.0426 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.0032 0.0139
Mycobacterium ulcerans penicillin-binding protein DacC 0.0266 0.0474 0.077
Mycobacterium ulcerans penicillin-binding membrane protein PbpB 0.0176 0.0297 0.0457
Mycobacterium tuberculosis Probable lipase LipE 0.0775 0.1477 0.1486
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.005 0.004
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0034 0.003
Onchocerca volvulus 0.0861 0.1648 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0058 0.0049
Plasmodium vivax importin-beta 2, putative 0.0044 0.0036 0.0179
Loa Loa (eye worm) intermediate filament protein 0.0107 0.016 0.0151
Mycobacterium ulcerans hypothetical protein 0.0775 0.1477 0.255
Loa Loa (eye worm) hypothetical protein 0.005 0.0047 0.0038
Loa Loa (eye worm) hypothetical protein 0.0775 0.1477 0.1469
Mycobacterium tuberculosis Possible penicillin-binding protein 0.495 0.971 1
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.0032 0.0139
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0058 0.0064 0.0055
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0032 0.0013 0.0087
Mycobacterium tuberculosis Probable penicillin-binding protein PbpA 0.0176 0.0297 0.0267
Onchocerca volvulus 0.0775 0.1477 0.894
Toxoplasma gondii glutamine-dependent NAD(+) synthetase protein, putative 0.0046 0.004 0.0219
Loa Loa (eye worm) hypothetical protein 0.0078 0.0104 0.0095
Loa Loa (eye worm) hypothetical protein 0.0861 0.1648 0.164
Loa Loa (eye worm) jmjC domain-containing protein 0.007 0.0088 0.0078
Plasmodium vivax hypothetical protein, conserved 0.0775 0.1477 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0177 0.0298 1
Brugia malayi acetyltransferase, GNAT family protein 0.0143 0.0231 0.0222
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.2904 0.5676 0.5829
Mycobacterium leprae PROBABLE BIFUNCTIONAL PENICILLIN-BINDING PROTEIN 1A/1B PONA1 (MUREIN POLYMERASE) (PBP1): PENICILLIN-INSENSITIVE TRANSGLYCOSYLASE 0.0621 0.1174 0.3432
Trichomonas vaginalis glutaminase, putative 0.0805 0.1537 0.9325
Echinococcus multilocularis lysine specific demethylase 5A 0.007 0.0088 0.0078
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0058 0.0049
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.1722 0.3345 0.5864
Loa Loa (eye worm) carboxylesterase 0.0861 0.1648 0.164
Onchocerca volvulus 0.0861 0.1648 1
Loa Loa (eye worm) hypothetical protein 0.0107 0.016 0.0151
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0183 0.031 0.2098
Loa Loa (eye worm) hypothetical protein 0.0775 0.1477 0.1469
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.007 0.0088 0.0078
Schistosoma mansoni intermediate filament proteins 0.0107 0.016 0.0157
Brugia malayi beta-lactamase 0.0775 0.1477 0.1469
Mycobacterium leprae POSSIBLE PENICILLIN-BINDING LIPOPROTEIN 0.0176 0.0297 0.078
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0136 0.0217 0.0207
Entamoeba histolytica hypothetical protein 0.0043 0.0034 0.0841
Mycobacterium tuberculosis Conserved hypothetical protein 0.0096 0.0139 0.0103
Trichomonas vaginalis glucosylceramidase, putative 0.0136 0.0217 0.1264
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0177 0.0298 0.1763
Schistosoma mansoni importin beta-1 0.0044 0.0036 0.0032
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0032 0.0155
Trichomonas vaginalis glucosylceramidase, putative 0.0089 0.0125 0.0703
Echinococcus granulosus muscleblind protein 0.0078 0.0104 0.0095
Brugia malayi RNA, U transporter 1 0.0125 0.0195 0.0186
Trypanosoma cruzi transcription factor btf3, putative 0.0031 0.0009 0.0064
Echinococcus granulosus histone acetyltransferase KAT2B 0.0139 0.0223 0.0214
Loa Loa (eye worm) hypothetical protein 0.0052 0.0051 0.0042
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0058 0.0055
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0861 0.1648 0.164
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0861 0.1648 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0058 0.0055
Mycobacterium ulcerans lipase LipD 0.0775 0.1477 0.255
Wolbachia endosymbiont of Brugia malayi D-alanyl-D-alanine carboxypeptidase 0.0266 0.0474 1
Echinococcus multilocularis lamin dm0 0.0107 0.016 0.0151
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0177 0.0298 0.1763
Onchocerca volvulus 0.0775 0.1477 0.894
Trichomonas vaginalis glucosylceramidase, putative 0.0089 0.0125 0.0703
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0861 0.1648 0.1645
Mycobacterium leprae Probable lipase LipE 0.0775 0.1477 0.4349
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0077 0.0073
Brugia malayi Importin beta-1 subunit 0.0044 0.0036 0.0026
Loa Loa (eye worm) hypothetical protein 0.0861 0.1648 0.164
Trypanosoma cruzi hypothetical protein, conserved 0.0775 0.1477 1
Mycobacterium tuberculosis Possible penicillin-binding lipoprotein 0.0176 0.0297 0.0267
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0032 0.0013 0.0003
Leishmania major mitochondrial DNA polymerase beta 0.0183 0.031 0.2047
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0177 0.0298 0.1763
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0077 0.0073
Entamoeba histolytica hypothetical protein 0.0043 0.0034 0.0841
Brugia malayi bZIP transcription factor family protein 0.0058 0.0064 0.0055
Loa Loa (eye worm) hypothetical protein 0.0775 0.1477 0.1469
Loa Loa (eye worm) hypothetical protein 0.0057 0.0061 0.0052
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0034 0.0024
Schistosoma mansoni hypothetical protein 0.0047 0.0043 0.0039
Trichomonas vaginalis glucosylceramidase, putative 0.0136 0.0217 0.1264
Trichomonas vaginalis glucosylceramidase, putative 0.0089 0.0125 0.0703
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0775 0.1477 0.1486
Entamoeba histolytica hypothetical protein 0.0043 0.0034 0.0841
Leishmania major GTP-binding protein, putative 0.0032 0.0013 0.0023
Mycobacterium tuberculosis Conserved protein 0.0775 0.1477 0.1486
Mycobacterium tuberculosis Conserved protein 0.0775 0.1477 0.1486
Treponema pallidum fructose-bisphosphate aldolase 0.0177 0.0298 0.228
Mycobacterium tuberculosis Probable penicillin-binding protein DacB2 (D-alanyl-D-alanine carboxypeptidase) (DD-peptidase) (DD-carboxypeptidase) (PBP) (DD-t 0.0266 0.0474 0.0449
Mycobacterium tuberculosis Conserved protein 0.0775 0.1477 0.1486
Schistosoma mansoni ran 0.0032 0.0013 0.0009
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0861 0.1648 0.1663
Schistosoma mansoni glutaminase 0.0805 0.1537 0.1534
Brugia malayi hypothetical protein 0.0043 0.0034 0.0024
Echinococcus multilocularis survival motor neuron protein 1 0.0249 0.0441 0.0432
Schistosoma mansoni glutamine-dependent NAD(+) synthetase 0.0046 0.004 0.0036
Schistosoma mansoni survival motor neuron protein 0.0051 0.005 0.0046
Onchocerca volvulus 0.0861 0.1648 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0057 0.0062 0.0053
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0052 0.0051 0.0042
Brugia malayi Carboxylesterase family protein 0.0861 0.1648 0.164
Trichomonas vaginalis importin beta-1, putative 0.0036 0.0019 0.0061
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0032 0.0013 0.0087
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0077 0.0073
Brugia malayi jmjC domain containing protein 0.007 0.0088 0.0078
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0775 0.1477 0.1469
Schistosoma mansoni gliotactin 0.0861 0.1648 0.1645
Trypanosoma brucei importin beta-1 subunit, putative 0.0044 0.0036 0.0132
Mycobacterium ulcerans hypothetical protein 0.0242 0.0426 0.0685
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0031 0.0011 0.0075
Brugia malayi hypothetical protein 0.0861 0.1648 0.164
Chlamydia trachomatis transglycolase/transpeptidase 0.0176 0.0297 0.4444
Loa Loa (eye worm) hypothetical protein 0.0249 0.0441 0.0432
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.0025 0.5244
Trichomonas vaginalis glucosylceramidase, putative 0.0136 0.0217 0.1264
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0086 0.012 0.0243
Echinococcus granulosus jun protein 0.0058 0.0064 0.0055
Treponema pallidum penicillin-binding protein (pbp-3) 0.0176 0.0297 0.2272
Toxoplasma gondii ABC1 family protein 0.0775 0.1477 1
Loa Loa (eye worm) hypoxia-induced factor 1 0.0074 0.0096 0.0087
Loa Loa (eye worm) hypothetical protein 0.0775 0.1477 0.1469
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0468 0.0872 0.0863
Mycobacterium ulcerans hypothetical protein 0.0096 0.0139 0.0177
Trichomonas vaginalis spcc417.12 protein, putative 0.0861 0.1648 1
Loa Loa (eye worm) hypothetical protein 0.0775 0.1477 0.1469
Echinococcus granulosus survival motor neuron protein 1 0.0249 0.0441 0.0432
Mycobacterium tuberculosis Probable penicillin-binding protein DacB1 (D-alanyl-D-alanine carboxypeptidase) (DD-peptidase) (DD-carboxypeptidase) (PBP) (DD-t 0.0266 0.0474 0.0449
Echinococcus multilocularis para nitrobenzyl esterase 0.0861 0.1648 0.164
Echinococcus granulosus importin subunit beta 1 0.0044 0.0036 0.0026
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0177 0.0298 0.1763
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0058 0.0049
Leishmania major NAD synthase, putative 0.0046 0.004 0.0205
Mycobacterium tuberculosis Probable bifunctional penicillin-binding protein 1A/1B PonA1 (murein polymerase) (PBP1): penicillin-insensitive transglycosylase 0.0229 0.04 0.0373
Leishmania major importin beta-1 subunit, putative 0.0036 0.0019 0.0068
Brugia malayi beta-lactamase family protein 0.0775 0.1477 0.1469
Echinococcus granulosus lamin 0.0107 0.016 0.0151
Echinococcus multilocularis musashi 0.0107 0.016 0.0151
Brugia malayi Muscleblind-like protein 0.0078 0.0104 0.0095
Brugia malayi beta-lactamase family protein 0.0775 0.1477 0.1469
Brugia malayi Carboxylesterase family protein 0.0861 0.1648 0.164
Onchocerca volvulus 0.0107 0.016 0.075
Brugia malayi RNA binding protein 0.0065 0.0077 0.0067
Schistosoma mansoni hypothetical protein 0.0051 0.005 0.0046
Trypanosoma cruzi NAD+ synthase, putative 0.0046 0.004 0.0268
Treponema pallidum penicillin-binding protein (pbp-1) 0.0176 0.0297 0.2272
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0107 0.016 0.0151
Brugia malayi TAR-binding protein 0.0065 0.0077 0.0067
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0032 0.0168
Mycobacterium ulcerans carboxylesterase, LipT 0.0861 0.1648 0.2853
Mycobacterium ulcerans lipoprotein LpqF 0.1394 0.2698 0.4717
Onchocerca volvulus 0.0775 0.1477 0.894
Trichomonas vaginalis glucosylceramidase, putative 0.0089 0.0125 0.0703
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0136 0.0217 0.0207
Loa Loa (eye worm) hypothetical protein 0.0861 0.1648 0.164
Trichomonas vaginalis chromobox protein, putative 0.0031 0.001 0.0002
Schistosoma mansoni chromobox protein 0.0031 0.001 0.0006
Trichomonas vaginalis esterase, putative 0.0775 0.1477 0.8959
Loa Loa (eye worm) glutaminase 0.0805 0.1537 0.1529
Echinococcus multilocularis BC026374 protein (S09 family) 0.0861 0.1648 0.164
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0775 0.1477 0.1469
Schistosoma mansoni jun-related protein 0.0047 0.0043 0.0039
Chlamydia trachomatis transglycolase/transpeptidase 0.0176 0.0297 0.4444
Echinococcus multilocularis importin subunit beta 1 0.0044 0.0036 0.0026
Echinococcus granulosus intermediate filament protein 0.0107 0.016 0.0151
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0775 0.1477 0.1486
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.007 0.0088 0.0078
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0775 0.1477 0.1486
Echinococcus multilocularis jun protein 0.0058 0.0064 0.0055
Loa Loa (eye worm) hypothetical protein 0.0861 0.1648 0.164
Echinococcus granulosus neuroligin 0.0861 0.1648 0.164
Toxoplasma gondii HEAT repeat-containing protein 0.0044 0.0036 0.0192
Trichomonas vaginalis glucosylceramidase, putative 0.0094 0.0134 0.0761
Echinococcus multilocularis snurportin 1 0.0468 0.0872 0.0863
Trypanosoma cruzi transcription factor btf3, putative 0.0031 0.0009 0.0064
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0058 0.0049
Onchocerca volvulus 0.0051 0.005 0.0061
Schistosoma mansoni chromobox protein 0.0031 0.001 0.0006
Loa Loa (eye worm) hypothetical protein 0.0861 0.1648 0.164
Brugia malayi Carboxylesterase family protein 0.0861 0.1648 0.164
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0032 0.0013 0.0003
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0087 0.012 0.0812
Mycobacterium ulcerans penicillin-binding lipoprotein 0.0176 0.0297 0.0457
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0775 0.1477 0.1474
Trichomonas vaginalis glucosylceramidase, putative 0.0089 0.0125 0.0703
Mycobacterium tuberculosis Probable bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 (murein polymerase) [includes: penicillin-insen 0.0392 0.0723 0.0707
Loa Loa (eye worm) glutaminase 2 0.0805 0.1537 0.1529
Trichomonas vaginalis penicillin-binding protein, putative 0.0775 0.1477 0.8959
Onchocerca volvulus Glucosylceramidase homolog 0.0089 0.0125 0.0528
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.0077 0.0067
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0052 0.0051 0.0042
Trichomonas vaginalis glucosylceramidase, putative 0.0094 0.0134 0.0761
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0183 0.031 0.1148
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.1394 0.2698 0.2749
Loa Loa (eye worm) acetyltransferase 0.0143 0.0231 0.0222
Trichomonas vaginalis conserved hypothetical protein 0.0621 0.1174 0.711
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0058 0.0049
Mycobacterium tuberculosis Probable hydrolase 0.0775 0.1477 0.1486
Onchocerca volvulus 0.0107 0.016 0.075
Brugia malayi hypothetical protein 0.0249 0.0441 0.0432
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0032 0.0013 0.1144
Loa Loa (eye worm) hypothetical protein 0.0861 0.1648 0.164
Schistosoma mansoni hypothetical protein 0.053 0.0994 0.0991
Trypanosoma cruzi importin beta-1 subunit, putative 0.0036 0.0019 0.0131
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0177 0.0298 0.1763
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.1394 0.2698 0.8043
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0058 0.0049
Trichomonas vaginalis D-aminoacylase, putative 0.0775 0.1477 0.8959
Trichomonas vaginalis D-aminoacylase, putative 0.0775 0.1477 0.8959
Loa Loa (eye worm) beta-lactamase 0.0775 0.1477 0.1469
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.2904 0.5676 1
Mycobacterium tuberculosis Probable esterase LipL 0.0775 0.1477 0.1486
Toxoplasma gondii NAC domain-containing protein 0.0031 0.0009 0.0014
Leishmania major hypothetical protein, conserved 0.0775 0.1477 1
Echinococcus granulosus geminin 0.053 0.0994 0.0985
Trichomonas vaginalis glucosylceramidase, putative 0.0136 0.0217 0.1264
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0177 0.0298 1
Brugia malayi hypothetical protein 0.0046 0.004 0.003
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.0025 0.0433
Schistosoma mansoni hypothetical protein 0.0051 0.005 0.0046
Mycobacterium tuberculosis Cysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC 0.1722 0.3345 0.3418
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0087 0.012 0.0753
Giardia lamblia Fructose-bisphosphate aldolase 0.0177 0.0298 1
Trypanosoma brucei transcription factor BTF3, putative 0.0031 0.0009 0.0035
Onchocerca volvulus 0.0861 0.1648 1
Trypanosoma brucei NAD+ synthase, putative 0.0046 0.004 0.0147
Brugia malayi cytoplasmic intermediate filament protein 0.0057 0.0062 0.0053
Echinococcus multilocularis muscleblind protein 0.0078 0.0104 0.0095
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0077 0.0073
Loa Loa (eye worm) hypothetical protein 0.0861 0.1648 0.164
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0036 0.0019 0.0061
Mycobacterium ulcerans glutaminase 0.0805 0.1537 0.2657
Mycobacterium ulcerans esterase/lipase LipP 0.0775 0.1477 0.255
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0861 0.1648 0.1645
Schistosoma mansoni BC026374 protein (S09 family) 0.0861 0.1648 0.1645
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0143 0.0231 0.0228
Trypanosoma cruzi hypothetical protein, conserved 0.0775 0.1477 1
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0032 0.0013 0.0048
Echinococcus multilocularis tar DNA binding protein 0.0065 0.0077 0.0067
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0032 0.0023
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0032 0.0013 0.0037
Echinococcus granulosus para nitrobenzyl esterase 0.0861 0.1648 0.164
Schistosoma mansoni hypothetical protein 0.0043 0.0034 0.003
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0032 0.0013 0.0003
Schistosoma mansoni jumonji/arid domain-containing protein 0.007 0.0088 0.0084
Echinococcus multilocularis geminin 0.053 0.0994 0.0985
Trypanosoma brucei importin beta-1 subunit, putative 0.0044 0.0036 0.0132
Echinococcus multilocularis lamin 0.0107 0.016 0.0151
Brugia malayi hypothetical protein 0.0081 0.0109 0.0099
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0775 0.1477 0.255
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.0025 0.0547
Entamoeba histolytica Ran family GTPase 0.0032 0.0013 0.0119
Schistosoma mansoni lamin 0.0107 0.016 0.0157
Loa Loa (eye worm) hypothetical protein 0.0078 0.0104 0.0095
Trichomonas vaginalis glucosylceramidase, putative 0.0136 0.0217 0.1264
Trichomonas vaginalis glucosylceramidase, putative 0.0089 0.0125 0.0703
Mycobacterium tuberculosis Carboxylesterase LipT 0.0861 0.1648 0.1663
Schistosoma mansoni hypothetical protein 0.0468 0.0872 0.0869
Mycobacterium ulcerans beta-lactamase 0.0775 0.1477 0.255
Mycobacterium ulcerans bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 0.0392 0.0723 0.1213
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0177 0.0298 0.1763
Schistosoma mansoni hypothetical protein 0.053 0.0994 0.0991
Loa Loa (eye worm) hypothetical protein 0.0044 0.0036 0.0026
Treponema pallidum penicillin-binding protein (pbp-2) 0.0621 0.1174 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0087 0.012 0.0444
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0034 0.0024
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0086 0.012 0.0083
Brugia malayi Carboxylesterase family protein 0.0861 0.1648 0.164
Mycobacterium ulcerans bifunctional penicillin-binding protein 1A/1B PonA1 0.0621 0.1174 0.2013
Loa Loa (eye worm) carboxylesterase 0.0861 0.1648 0.164
Trichomonas vaginalis D-aminoacylase, putative 0.0775 0.1477 0.8959
Echinococcus multilocularis beta LACTamase domain containing family member 0.0775 0.1477 0.1469
Entamoeba histolytica hypothetical protein 0.0043 0.0034 0.0841
Echinococcus granulosus BC026374 protein S09 family 0.0861 0.1648 0.164
Schistosoma mansoni ran 0.0032 0.0013 0.0009
Loa Loa (eye worm) hypothetical protein 0.005 0.0047 0.0038
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0058 0.0055
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0036 0.0019 0.0061
Echinococcus multilocularis neuroligin 0.0861 0.1648 0.164
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0183 0.031 0.2098
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0177 0.0298 0.1763
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0077 0.0073
Loa Loa (eye worm) hypothetical protein 0.0081 0.0109 0.0099
Trichomonas vaginalis ran, putative 0.0032 0.0013 0.0021
Echinococcus granulosus beta LACTamase domain containing family member 0.0775 0.1477 0.1469
Schistosoma mansoni transcription factor btf3 0.0031 0.0009 0.0006
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0086 0.012 0.0142
Echinococcus granulosus GTP binding nuclear protein Ran 0.0032 0.0013 0.0003
Loa Loa (eye worm) TAR-binding protein 0.0065 0.0077 0.0067
Brugia malayi jmjC domain containing protein 0.007 0.0088 0.0078
Loa Loa (eye worm) RNA binding protein 0.0065 0.0077 0.0067
Trypanosoma brucei hypothetical protein, conserved 0.0775 0.1477 0.5474
Schistosoma mansoni acetylcholinesterase 0.0861 0.1648 0.1645
Plasmodium vivax glutamine-dependent NAD(+) synthetase, putative 0.0046 0.004 0.0205
Trichomonas vaginalis glucosylceramidase, putative 0.0089 0.0125 0.0703
Trichomonas vaginalis glucosylceramidase, putative 0.0136 0.0217 0.1264
Entamoeba histolytica hypothetical protein 0.0036 0.0019 0.0343
Echinococcus granulosus lysine specific demethylase 5A 0.007 0.0088 0.0078
Loa Loa (eye worm) hypothetical protein 0.0775 0.1477 0.1469
Brugia malayi Intermediate filament tail domain containing protein 0.0107 0.016 0.0151
Schistosoma mansoni jumonji/arid domain-containing protein 0.007 0.0088 0.0084
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0861 0.1648 0.1645
Schistosoma mansoni jumonji domain containing protein 0.007 0.0088 0.0084
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0032 0.0013 0.0023
Mycobacterium leprae Probable penicillin-binding protein PbpA 0.0176 0.0297 0.078
Mycobacterium leprae conserved hypothetical protein 0.0775 0.1477 0.4349
Loa Loa (eye worm) hypothetical protein 0.0105 0.0156 0.0147
Schistosoma mansoni lamin 0.0107 0.016 0.0157
Brugia malayi glutaminase DH11.1 0.0805 0.1537 0.1529
Onchocerca volvulus 0.0861 0.1648 1
Echinococcus multilocularis muscleblind protein 1 0.0078 0.0104 0.0095
Mycobacterium leprae Probable cysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC 0.1722 0.3345 1
Trichomonas vaginalis nh(3)-dependent NAD(+) synthetase, putative 0.0046 0.004 0.0184
Echinococcus granulosus tar DNA binding protein 0.0065 0.0077 0.0067
Trypanosoma brucei beta lactamase 0.1394 0.2698 1
Mycobacterium tuberculosis Probable lipase LipD 0.0775 0.1477 0.1486
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0177 0.0298 0.1763
Plasmodium falciparum glutamine-dependent NAD(+) synthetase, putative 0.0046 0.004 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0775 0.1477 0.8959
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0775 0.1477 0.1474
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0861 0.1648 0.1663
Brugia malayi intermediate filament protein 0.0107 0.016 0.0151
Mycobacterium leprae Probable D-alanyl-D-alanine carboxypeptidase DacB1 (PENICILLIN-BINDING PROTEIN) (DD-PEPTIDASE) (DD-CARBOXYPEPTIDASE) (PBP) (DD-T 0.0266 0.0474 0.1313
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0861 0.1648 0.164
Trypanosoma cruzi NAD+ synthase, putative 0.0046 0.004 0.0268
Trichomonas vaginalis chromobox protein, putative 0.0031 0.001 0.0002
Mycobacterium ulcerans D-alanyl-D-alanine carboxypeptidase 0.0266 0.0474 0.077
Mycobacterium leprae PROBABLE BIFUNCTIONAL MEMBRANE-ASSOCIATED PENICILLIN-BINDING PROTEIN 1A/1B PONA2 (MUREIN POLYMERASE) [INCLUDES: PENICILLIN-INSEN 0.0392 0.0723 0.2068

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 19.9526 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) 31.6228 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) = 39.8107 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 (binding) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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