Detailed information for compound 1670390

Basic information

Technical information
  • TDR Targets ID: 1670390
  • Name: 4-oxo-4-[(2-propylsulfanyl-1,3-benzothiazol-6 -yl)amino]butanoic acid
  • MW: 324.418 | Formula: C14H16N2O3S2
  • H donors: 2 H acceptors: 4 LogP: 2.73 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCSc1nc2c(s1)cc(cc2)NC(=O)CCC(=O)O
  • InChi: 1S/C14H16N2O3S2/c1-2-7-20-14-16-10-4-3-9(8-11(10)21-14)15-12(17)5-6-13(18)19/h3-4,8H,2,5-7H2,1H3,(H,15,17)(H,18,19)
  • InChiKey: WXPAWXCZGXNAFZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-oxo-4-[[2-(propylthio)-1,3-benzothiazol-6-yl]amino]butanoic acid
  • 4-keto-4-[[2-(propylthio)-1,3-benzothiazol-6-yl]amino]butyric acid

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
Brugia malayi CHD4 protein 0.0026 0.0136 0.026
Echinococcus multilocularis SAM and MBT domain containing protein 0.0373 0.4364 0.7243
Onchocerca volvulus 0.0292 0.3382 0.6481
Plasmodium vivax importin-beta 2, putative 0.0029 0.0166 0.2409
Echinococcus multilocularis GPCR, family 2 0.0035 0.0238 0.0395
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.1284 0.246
Brugia malayi jmjC domain containing protein 0.0025 0.0117 0.0224
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0121 0.1191
Schistosoma mansoni gabp alpha 0.0071 0.0687 0.0687
Brugia malayi Liprin-alpha 2 0.0024 0.0115 0.0219
Mycobacterium tuberculosis Conserved protein 0.0072 0.0691 0.1227
Brugia malayi Sphingomyelin synthase-related 1 0.0024 0.0115 0.0219
Echinococcus multilocularis chromobox protein 2 0.0191 0.2145 0.3561
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.01 0.0372
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0121 0.0232
Schistosoma mansoni jumonji/arid domain-containing protein 0.009 0.0916 0.0916
Brugia malayi MH2 domain containing protein 0.012 0.1284 0.246
Schistosoma mansoni hypothetical protein 0.0169 0.1872 0.1872
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0058 0.0217
Trypanosoma cruzi Kinesin-13 5, putative 0.0024 0.0115 0.1658
Echinococcus granulosus Sterile alpha motif type 0.0024 0.0115 0.019
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0072 0.0691 0.0691
Schistosoma mansoni phd finger protein 0.0039 0.0298 0.0298
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0058 0.0842
Plasmodium vivax hypothetical protein, conserved 0.0072 0.0691 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0115 0.0219
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.0691 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0691 0.1324
Schistosoma mansoni hypothetical protein 0.0169 0.1872 0.1872
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0058 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0072 0.0691 0.1324
Echinococcus granulosus lysine specific demethylase 5A 0.009 0.0916 0.1521
Brugia malayi Ets-domain containing protein 0.0071 0.0687 0.1316
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0031 0.0199 0.2881
Onchocerca volvulus 0.0016 0.0013 0.0026
Echinococcus multilocularis pdz domain containing protein 0.0024 0.0115 0.019
Onchocerca volvulus 0.0041 0.0315 0.0604
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0074 0.2815
Schistosoma mansoni hypothetical protein 0.0306 0.3551 0.3551
Brugia malayi TAR-binding protein 0.0072 0.0694 0.133
Loa Loa (eye worm) hypothetical protein 0.0024 0.0115 0.0219
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0179 0.0297
Schistosoma mansoni SET domain protein 0.0016 0.0013 0.0013
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0058 0.0111
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0026 0.0136 0.0136
Brugia malayi beta-lactamase family protein 0.0072 0.0691 0.1324
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0072 0.0691 0.0691
Brugia malayi cask-interacting protein 2 0.0024 0.0115 0.0219
Loa Loa (eye worm) hypothetical protein 0.0072 0.0691 0.1324
Loa Loa (eye worm) hypothetical protein 0.0072 0.0691 0.1324
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.01 0.0372
Schistosoma mansoni ran 0.0021 0.0074 0.0074
Plasmodium falciparum JmjC domain-containing protein, putative 0.0028 0.016 0.9628
Loa Loa (eye worm) hypothetical protein 0.0061 0.0561 0.1075
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0074 0.1072
Onchocerca volvulus 0.0024 0.0115 0.0219
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.0121 0.1191
Schistosoma mansoni hypothetical protein 0.0035 0.0238 0.0238
Schistosoma mansoni lip-related protein (liprin) alpha 0.0024 0.0115 0.0115
Brugia malayi latrophilin 2 splice variant baaae 0.0075 0.0726 0.1392
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.004 0.0301 0.4357
Loa Loa (eye worm) hypothetical protein 0.0029 0.0166 0.0319
Brugia malayi F/Y-rich N-terminus family protein 0.0016 0.0013 0.0026
Echinococcus multilocularis beta LACTamase domain containing family member 0.0072 0.0691 0.1146
Loa Loa (eye worm) hypothetical protein 0.0019 0.0044 0.0085
Loa Loa (eye worm) toll and interleukin 1 receptor domain-containing protein isoform f 0.0024 0.0115 0.0219
Mycobacterium tuberculosis Probable esterase LipL 0.0072 0.0691 0.1227
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0058 0.0842
Brugia malayi Ets-domain containing protein 0.0071 0.0687 0.1316
Echinococcus multilocularis histone acetyltransferase myst3 0.0039 0.0298 0.0495
Loa Loa (eye worm) fli-1 protein 0.0217 0.2459 0.4712
Echinococcus granulosus beta LACTamase domain containing family member 0.0072 0.0691 0.1146
Plasmodium falciparum acyl-CoA synthetase 0.0019 0.0044 0.2652
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0691 0.2564
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.1284 0.246
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0026 0.0136 0.0226
Echinococcus granulosus tar DNA binding protein 0.0072 0.0694 0.1152
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.0121 0.0167
Plasmodium vivax acyl-CoA synthetase, putative 0.0019 0.0044 0.0639
Schistosoma mansoni tar DNA-binding protein 0.0072 0.0694 0.0694
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0074 0.0142
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0044 0.0023
Trypanosoma brucei Present in the outer mitochondrial membrane proteome 24 0.0024 0.0115 0.1658
Loa Loa (eye worm) hypothetical protein 0.003 0.0179 0.0343
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0166 0.0276
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0121 0.4476
Trypanosoma cruzi Kinesin-13 5, putative 0.0024 0.0115 0.1658
Echinococcus multilocularis sphingomyelin synthase protein 1 0.0024 0.0115 0.019
Echinococcus granulosus liprin alpha 2 0.0024 0.0115 0.019
Echinococcus multilocularis Sterile alpha motif type 0.0024 0.0115 0.019
Echinococcus granulosus sterile alpha and tir motif containing protein 0.0024 0.0115 0.019
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0074 0.1072
Loa Loa (eye worm) hypothetical protein 0.0024 0.0115 0.0219
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.0121 0.1191
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0035 0.0238 0.0395
Brugia malayi beta-lactamase 0.0072 0.0691 0.1324
Mycobacterium ulcerans beta-lactamase 0.0072 0.0691 1
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.0271 1
Loa Loa (eye worm) RNA binding protein 0.0072 0.0694 0.133
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0691 0.2564
Onchocerca volvulus 0.0024 0.0115 0.0219
Schistosoma mansoni ets-related 0.0217 0.2459 0.2459
Trypanosoma cruzi hypothetical protein 0.0024 0.0115 0.1658
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0019 0.0044 0.5
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0074 0.0123
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0121 0.0995
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.0271 0.3917
Trichomonas vaginalis esterase, putative 0.0072 0.0691 0.2564
Loa Loa (eye worm) hypothetical protein 0.018 0.201 0.3851
Loa Loa (eye worm) hypothetical protein 0.0443 0.5219 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0146 0.1593 0.3052
Loa Loa (eye worm) hypothetical protein 0.0025 0.0121 0.0232
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0058 0.0097
Schistosoma mansoni chromobox protein 0.0191 0.2145 0.2145
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0271 0.3917
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0146 0.1593 0.2643
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0074 0.0142
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0458 0.5401 1
Brugia malayi N-terminal motif family protein 0.018 0.201 0.3851
Trichomonas vaginalis set domain proteins, putative 0.0236 0.2694 1
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0443 0.5219 1
Echinococcus multilocularis histone acetyltransferase MYST2 0.0093 0.0949 0.1575
Brugia malayi Shank2E 0.0024 0.0115 0.0219
Echinococcus multilocularis polyhomeotic proximal chromatin protein 0.0024 0.0115 0.019
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0373 0.4364 0.4364
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0509 0.6025 1
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0074 0.0123
Brugia malayi hypothetical protein 0.0024 0.0115 0.0219
Plasmodium vivax JmjC domain containing protein 0.0028 0.016 0.2319
Brugia malayi sterile alpha and TIR motif containing protein 1 isoform a 0.0024 0.0115 0.0219
Loa Loa (eye worm) hypothetical protein 0.0024 0.0115 0.0219
Schistosoma mansoni tar DNA-binding protein 0.0072 0.0694 0.0694
Echinococcus granulosus SAM and MBT domain containing protein 0.0373 0.4364 0.7243
Loa Loa (eye worm) hypothetical protein 0.0019 0.0044 0.0085
Echinococcus granulosus polyhomeotic proximal chromatin protein 0.0024 0.0115 0.019
Loa Loa (eye worm) hypothetical protein 0.0024 0.0115 0.0219
Onchocerca volvulus 0.0072 0.0691 0.1324
Echinococcus multilocularis snurportin 1 0.0306 0.3551 0.5893
Loa Loa (eye worm) inositol-1 0.0037 0.0271 0.0518
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0121 0.0995
Schistosoma mansoni hypothetical protein 0.0024 0.0115 0.0115
Loa Loa (eye worm) hypothetical protein 0.0024 0.0115 0.0219
Loa Loa (eye worm) hypothetical protein 0.0072 0.0691 0.1324
Onchocerca volvulus 0.0024 0.0115 0.0219
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.018 0.201 0.3851
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.0121 0.1191
Leishmania major GTP-binding protein, putative 0.0021 0.0074 0.0251
Schistosoma mansoni hypothetical protein 0.0035 0.0238 0.0238
Brugia malayi Pre-SET motif family protein 0.0207 0.2345 0.4493
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0058 0.2149
Plasmodium vivax SET domain protein, putative 0.003 0.0179 0.2595
Schistosoma mansoni tar DNA-binding protein 0.0072 0.0694 0.0694
Loa Loa (eye worm) MBCTL1 0.0093 0.0949 0.1818
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0146 0.1593 0.3052
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0035 0.0238 0.0456
Echinococcus multilocularis sterile alpha and tir motif containing protein 0.0024 0.0115 0.019
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0271 0.1004
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0121 0.0232
Loa Loa (eye worm) mbt repeat family protein 0.0268 0.3084 0.591
Schistosoma mansoni Protein aveugle 0.0024 0.0115 0.0115
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0109 0.1148 0.2199
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0025 0.0117 0.0194
Echinococcus granulosus polycomb protein SCMH1 0.0258 0.2957 0.4907
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0146 0.1593 0.2643
Echinococcus granulosus GA binding protein alpha chain 0.0071 0.0687 0.114
Echinococcus multilocularis geminin 0.0169 0.1872 0.3107
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0093 0.0949 0.1818
Schistosoma mansoni hypothetical protein 0.0024 0.0115 0.0115
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0025 0.0117 0.0194
Brugia malayi mbt repeat family protein 0.0443 0.5219 1
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0074 0.1072
Echinococcus granulosus polyhomeotic protein 2 0.0024 0.0115 0.019
Echinococcus multilocularis GA binding protein alpha chain 0.0071 0.0687 0.114
Onchocerca volvulus 0.0024 0.0115 0.0219
Mycobacterium tuberculosis Probable hydrolase 0.0072 0.0691 0.1227
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0109 0.1148 0.2199
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0093 0.0949 0.1575
Schistosoma mansoni myelin transcription factor 1 myt1 0.0093 0.0949 0.0949
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0058 0.0111
Toxoplasma gondii ABC1 family protein 0.0072 0.0691 1
Echinococcus multilocularis Sterile alpha motif SAM 0.0024 0.0115 0.019
Onchocerca volvulus 0.0025 0.0121 0.0232
Loa Loa (eye worm) beta-lactamase 0.0072 0.0691 0.1324
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0058 0.0049
Toxoplasma gondii PLU-1 family protein 0.0043 0.0336 0.486
Echinococcus granulosus histone acetyltransferase myst3 0.0039 0.0298 0.0495
Trichomonas vaginalis penicillin-binding protein, putative 0.0072 0.0691 0.2564
Loa Loa (eye worm) hypothetical protein 0.0025 0.0121 0.0232
Loa Loa (eye worm) hypothetical protein 0.0025 0.0121 0.0232
Plasmodium falciparum importin beta, putative 0.0029 0.0166 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0166 0.0275
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0146 0.1593 0.2643
Schistosoma mansoni hypothetical protein 0.0075 0.0726 0.0726
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0179 0.0179
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0071 0.0687 0.1316
Schistosoma mansoni inositol monophosphatase 0.0037 0.0271 0.0271
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0058 0.0842
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0074 0.1072
Brugia malayi hypothetical protein 0.0024 0.0115 0.0219
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0271 0.3917
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0074 0.4449
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0035 0.0238 0.0395
Mycobacterium ulcerans lipase LipD 0.0072 0.0691 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0726 0.1392
Brugia malayi bicaudal-C 0.0024 0.0115 0.0219
Trypanosoma brucei hypothetical protein, conserved 0.0072 0.0691 1
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0121 0.0232
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0111 0.1165 0.1934
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0058 0.0216
Brugia malayi RNA, U transporter 1 0.0082 0.0811 0.1555
Echinococcus multilocularis polyhomeotic protein 2 0.0024 0.0115 0.019
Loa Loa (eye worm) hypothetical protein 0.0035 0.0238 0.0456
Loa Loa (eye worm) jmjC domain-containing protein 0.0133 0.1435 0.275
Brugia malayi RNA recognition motif domain containing protein 0.0072 0.0694 0.133
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0166 0.2409
Leishmania major importin beta-1 subunit, putative 0.0023 0.01 0.0665
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0207 0.2345 0.4493
Schistosoma mansoni hypothetical protein 0.0035 0.0238 0.0238
Brugia malayi RNA binding protein 0.0072 0.0694 0.133
Mycobacterium ulcerans hypothetical protein 0.0072 0.0691 1
Echinococcus granulosus chromobox protein 2 0.0191 0.2145 0.3561
Loa Loa (eye worm) hypothetical protein 0.0072 0.0691 0.1324
Entamoeba histolytica hypothetical protein 0.0023 0.01 0.3704
Echinococcus granulosus snurportin 1 0.0306 0.3551 0.5893
Plasmodium vivax protein kinase, putative 0.0024 0.0115 0.1658
Schistosoma mansoni tar DNA-binding protein 0.0072 0.0694 0.0694
Brugia malayi Fli-1 protein 0.0217 0.2459 0.4712
Echinococcus granulosus tumor suppressor p53 binding protein 1 0.0317 0.3684 0.6114
Schistosoma mansoni hypothetical protein 0.0035 0.0238 0.0238
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0166 0.2409
Schistosoma mansoni ran 0.0021 0.0074 0.0074
Onchocerca volvulus 0.0024 0.0115 0.0219
Entamoeba histolytica Ran family GTPase 0.0021 0.0074 0.2736
Loa Loa (eye worm) hypothetical protein 0.0109 0.1148 0.2199
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0179 0.0179
Mycobacterium tuberculosis Conserved protein 0.0072 0.0691 0.1227
Giardia lamblia Kinesin-13 0.0024 0.0115 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0044 0.0085
Brugia malayi AIDA-1b 0.0024 0.0115 0.0219
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0111 0.1165 0.1934
Trichomonas vaginalis conserved hypothetical protein 0.0024 0.0115 0.0425
Loa Loa (eye worm) AIDA-1b 0.0024 0.0115 0.0219
Loa Loa (eye worm) latrophilin receptor protein 2 0.0035 0.0238 0.0456
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0035 0.0238 0.0395
Brugia malayi Importin beta-1 subunit 0.0029 0.0166 0.0319
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0.0223 0.1788
Mycobacterium tuberculosis Conserved protein 0.0072 0.0691 0.1227
Loa Loa (eye worm) tnks protein 0.0024 0.0115 0.0219
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0271 0.1004
Echinococcus multilocularis tumor suppressor p53 binding protein 1 0.0317 0.3684 0.6114
Onchocerca volvulus 0.0072 0.0691 0.1324
Echinococcus multilocularis liprin alpha 2 0.0024 0.0115 0.019
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0072 0.0691 0.1227
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0072 0.0691 0.1227
Echinococcus granulosus geminin 0.0169 0.1872 0.3107
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0041 0.0315 0.0315
Schistosoma mansoni inositol monophosphatase 0.0037 0.0271 0.0271
Echinococcus granulosus Sterile alpha motif SAM 0.0024 0.0115 0.019
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0058 0.0842
Loa Loa (eye worm) hypothetical protein 0.0024 0.0115 0.0219
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0072 0.0691 0.1227
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0058 0.0097
Onchocerca volvulus 0.0072 0.0691 0.1324
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0306 0.3551 0.6804
Schistosoma mansoni Protein aveugle 0.0024 0.0115 0.0115
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0035 0.0238 0.0395
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0179 0.0297
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0146 0.1593 0.1593
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.0271 1
Onchocerca volvulus 0.0236 0.2694 0.5162
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0058 0.0216
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0179 0.0179
Mycobacterium ulcerans hypothetical protein 0.0025 0.0121 0.1191
Brugia malayi jmjC domain containing protein 0.0133 0.1435 0.275
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.0271 0.0449
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.0271 0.3502
Schistosoma mansoni ap endonuclease 0.002 0.0058 0.0058
Onchocerca volvulus 0.0024 0.0115 0.0219
Loa Loa (eye worm) hypothetical protein 0.0072 0.0691 0.1324
Echinococcus granulosus importin subunit beta 1 0.0029 0.0166 0.0276
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0121 0.1191
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.0223 0.0356
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0058 0.3495
Brugia malayi coiled-coil like protein 1 0.0024 0.0115 0.0219
Echinococcus multilocularis polycomb protein SCMH1 0.0258 0.2957 0.4907
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0146 0.1593 0.2643
Mycobacterium leprae conserved hypothetical protein 0.0072 0.0691 1
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0074 0.1072
Schistosoma mansoni hypothetical protein 0.0317 0.3684 0.3684
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0121 0.0995
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0072 0.0691 1
Schistosoma mansoni importin beta-1 0.0029 0.0166 0.0166
Brugia malayi mbt repeat family protein 0.0268 0.3084 0.591
Loa Loa (eye worm) hypothetical protein 0.0019 0.0044 0.0085
Loa Loa (eye worm) TAR-binding protein 0.0072 0.0694 0.133
Echinococcus granulosus histone acetyltransferase MYST2 0.0093 0.0949 0.1575
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0179 0.0297
Echinococcus granulosus GPCR family 2 0.0035 0.0238 0.0395
Schistosoma mansoni tar DNA-binding protein 0.0072 0.0694 0.0694
Brugia malayi Calcitonin receptor-like protein seb-1 0.0109 0.1148 0.2199
Schistosoma mansoni ap endonuclease 0.002 0.0058 0.0058
Onchocerca volvulus Tankyrase homolog 0.0024 0.0115 0.0219
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0072 0.0694 0.133
Echinococcus granulosus liprin alpha 2 0.0024 0.0115 0.019
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0026 0.0136 0.0226
Schistosoma mansoni lar interacting protein (lip)-related protein 0.0024 0.0115 0.0115
Brugia malayi Inositol-1 0.0037 0.0271 0.0518
Brugia malayi SET domain containing protein 0.0016 0.0013 0.0026
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.0271 0.1004
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.0691 1
Brugia malayi beta-lactamase family protein 0.0072 0.0691 0.1324
Echinococcus granulosus sphingomyelin synthase protein 1 0.0024 0.0115 0.019
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0121 0.1191
Trichomonas vaginalis c2h2 zinc finger protein, putative 0.0024 0.0115 0.0425
Schistosoma mansoni polyhomeotic 0.0024 0.0115 0.0115
Toxoplasma gondii exonuclease III APE 0.002 0.0058 0.0842
Mycobacterium tuberculosis Probable lipase LipD 0.0072 0.0691 0.1227
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.0271 0.0449
Schistosoma mansoni jumonji/arid domain-containing protein 0.009 0.0916 0.0916
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0121 0.0167
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0691 0.2564
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.0121 0.1191
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0166 0.2409
Toxoplasma gondii hypothetical protein 0.0025 0.0119 0.1721
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0072 0.0691 0.1324
Leishmania major hypothetical protein, conserved 0.0072 0.0691 1
Schistosoma mansoni spingomyelin synthetase-related 0.0024 0.0115 0.0115
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0121 0.4476
Echinococcus multilocularis tar DNA binding protein 0.0072 0.0694 0.1152
Trichomonas vaginalis penicillin-binding protein, putative 0.0072 0.0691 0.2564
Mycobacterium tuberculosis Probable lipase LipE 0.0072 0.0691 0.1227
Giardia lamblia Giardia trophozoite antigen GTA-1 0.0024 0.0115 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0146 0.1593 0.1593
Trichomonas vaginalis ran, putative 0.0021 0.0074 0.0275
Echinococcus granulosus pdz domain containing protein 0.0024 0.0115 0.019
Echinococcus multilocularis lysine specific demethylase 5A 0.0075 0.0733 0.1216
Brugia malayi Pre-SET motif family protein 0.003 0.0179 0.0343
Trichomonas vaginalis cgi-62, putative 0.0024 0.0115 0.0425
Entamoeba histolytica acyl-coA synthetase, putative 0.0025 0.0121 0.4476
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0146 0.1593 0.1593
Schistosoma mansoni sex comb on midleg homolog 0.0258 0.2957 0.2957
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0093 0.0949 0.1575
Loa Loa (eye worm) hypothetical protein 0.0019 0.0044 0.0085
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0271 0.3358
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0509 0.6025 1
Trypanosoma brucei SAM domain (Sterile alpha motif), putative 0.0024 0.0115 0.1658
Schistosoma mansoni sex comb on midleg homolog 0.0258 0.2957 0.2957
Trichomonas vaginalis importin beta-1, putative 0.0023 0.01 0.0372
Schistosoma mansoni jumonji domain containing protein 0.0025 0.0117 0.0117
Echinococcus multilocularis liprin alpha 2 0.0024 0.0115 0.019
Mycobacterium ulcerans esterase/lipase LipP 0.0072 0.0691 1
Mycobacterium leprae Probable lipase LipE 0.0072 0.0691 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0115 0.0219
Brugia malayi Latrophilin receptor protein 2 0.0035 0.0238 0.0456
Schistosoma mansoni DNAj-like protein 0.0024 0.0115 0.0115
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0271 0.3917
Loa Loa (eye worm) hypothetical protein 0.0093 0.0949 0.1818
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.01 0.1451
Loa Loa (eye worm) CHromoDomain protein family member 0.0026 0.0136 0.026

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 500 uM Inhibition of full length human recombinant LDHA expressed in Escherichia coli BL21 (DE3) cells after 10 mins by spectrophotometric analysis ChEMBL. 22417091
Kd (binding) = 40 uM Binding affinity to 6-His-tagged human LDHA (2 to 322 amino acid residue) expressed in Escherichia coli BL21 (DE3) cells by SPR analysis ChEMBL. 22417091
Kd (binding) = 92 uM Binding affinity to 6-His-tagged human LDHA (2 to 322 amino acid residue) expressed in Escherichia coli BL21 (DE3) cells by NMR analysis in presence of NADH ChEMBL. 22417091

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

1 literature reference was collected for this gene.

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