Detailed information for compound 1128780

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 495.423 | Formula: C17H17N7O9S
  • H donors: 4 H acceptors: 10 LogP: -1.35 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O[C@@H]1[C@@H](COS(=O)(=O)NC(=O)c2ccccc2[N+](=O)[O-])O[C@H]([C@@H]1O)n1cnc2c1ncnc2N
  • InChi: 1S/C17H17N7O9S/c18-14-11-15(20-6-19-14)23(7-21-11)17-13(26)12(25)10(33-17)5-32-34(30,31)22-16(27)8-3-1-2-4-9(8)24(28)29/h1-4,6-7,10,12-13,17,25-26H,5H2,(H,22,27)(H2,18,19,20)/t10-,12-,13-,17-/m1/s1
  • InChiKey: OCXRXKRXIAIGOE-CNEMSGBDSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase Get druggable targets OG5_146698 All targets in OG5_146698
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase Get druggable targets OG5_146698 All targets in OG5_146698
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 565 aa 475 aa 27.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0013 0.0109
Echinococcus multilocularis neuropeptide receptor A26 0.046 0.2601 0.2601
Echinococcus granulosus lysine specific demethylase 6a 0.0019 0.0013 0.0013
Schistosoma mansoni lamin 0.0027 0.0057 0.0057
Loa Loa (eye worm) hypothetical protein 0.0035 0.0109 0.0892
Brugia malayi F/Y-rich N-terminus family protein 0.0057 0.0238 0.1951
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.014 0.0723 0.1636
Loa Loa (eye worm) hypothetical protein 0.0035 0.0109 0.0892
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0034 0.0104 0.0827
Schistosoma mansoni cpg binding protein 0.0128 0.0651 0.0651
Echinococcus multilocularis peregrin 0.0059 0.0249 0.0249
Brugia malayi MH2 domain containing protein 0.0119 0.0598 0.4901
Brugia malayi PHD-finger family protein 0.0059 0.0249 0.2038
Brugia malayi Pre-SET motif family protein 0.0034 0.0104 0.0848
Giardia lamblia Fructose-bisphosphate aldolase 0.0287 0.1584 1
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.0252 0.201
Plasmodium falciparum phd finger protein, putative 0.0059 0.0249 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.004 0.0133 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0257 0.1412 0.1412
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0109 0.031
Echinococcus multilocularis jumonji domain containing protein 0.0082 0.0385 0.0385
Schistosoma mansoni hypothetical protein 0.0065 0.0281 0.0281
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.014 0.0723 0.1871
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.004 0.0133 0.5291
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0065 0.0281 0.0281
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0194 0.104 0.104
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0019 0.0015 0.1101
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0039 0.0127 0.0127
Brugia malayi intermediate filament protein 0.0027 0.0057 0.0465
Loa Loa (eye worm) jmjC domain-containing protein 0.0079 0.0362 0.2969
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0109 0.0109
Schistosoma mansoni jumonji domain containing protein 0.0154 0.0806 0.0806
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0013 0.0109
Schistosoma mansoni hypothetical protein 0.014 0.0723 0.0723
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0109 0.0109
Echinococcus granulosus phd:f box containing protein 0.0019 0.0013 0.0013
Echinococcus granulosus jumonji domain containing protein 0.0082 0.0385 0.0385
Loa Loa (eye worm) CXXC zinc finger family protein 0.0121 0.061 0.5
Toxoplasma gondii exonuclease III APE 0.004 0.0133 0.1064
Loa Loa (eye worm) PHD-finger family protein 0.0059 0.0249 0.2038
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0109 0.0109
Loa Loa (eye worm) hypothetical protein 0.0205 0.1103 0.904
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0031 0.0084 0.0084
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0675 0.3866 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0109 0.0892
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0065 0.0281 0.0281
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0226 0.1229 0.3179
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0109 0.031
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 0.1584 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.004 0.0133 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0205 0.1103 0.904
Echinococcus multilocularis lysine specific demethylase 5A 0.0072 0.0322 0.0322
Onchocerca volvulus 0.0034 0.0104 0.0348
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0104 0.0104
Echinococcus multilocularis microtubule associated protein 2 0.0686 0.393 0.393
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.0104 0.0104
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0109 0.0282
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0031 0.0084 0.0084
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0109 0.031
Plasmodium falciparum JmjC domain-containing protein, putative 0.0019 0.0013 0.0533
Echinococcus multilocularis geminin 0.0879 0.5061 0.5061
Echinococcus multilocularis GPCR, family 2 0.0065 0.0281 0.0281
Schistosoma mansoni hypothetical protein 0.0065 0.0281 0.0281
Brugia malayi beta-lactamase family protein 0.0035 0.0109 0.0892
Loa Loa (eye worm) hypothetical protein 0.0101 0.0497 0.4073
Toxoplasma gondii PHD-finger domain-containing protein 0.0059 0.0249 0.1987
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0018 0.001 0.001
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 0.1584 1
Loa Loa (eye worm) hypothetical protein 0.014 0.0723 0.5923
Brugia malayi exodeoxyribonuclease III family protein 0.004 0.0133 0.1091
Echinococcus granulosus microtubule associated protein 2 0.0686 0.393 0.393
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.0252 0.0252
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0194 0.104 0.104
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0019 0.0013 0.0106
Trichomonas vaginalis set domain proteins, putative 0.0255 0.14 0.8791
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0109 0.0282
Loa Loa (eye worm) hypothetical protein 0.0026 0.0055 0.0451
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.004 0.0133 0.0344
Schistosoma mansoni jumonji/arid domain-containing protein 0.0079 0.0362 0.0362
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 0.1584 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.004 0.0133 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 0.1584 1
Toxoplasma gondii ABC1 family protein 0.0035 0.0109 0.087
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0225 0.122 1
Loa Loa (eye worm) beta-lactamase 0.0035 0.0109 0.0892
Echinococcus granulosus mixed lineage leukemia protein mll 0.0031 0.0084 0.0084
Onchocerca volvulus 0.0035 0.0109 0.0388
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0109 0.0282
Brugia malayi Latrophilin receptor protein 2 0.0065 0.0281 0.2306
Schistosoma mansoni cpg binding protein 0.0128 0.0651 0.0651
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0109 0.0282
Loa Loa (eye worm) latrophilin receptor protein 2 0.0065 0.0281 0.2306
Schistosoma mansoni hypothetical protein 0.0019 0.0015 0.0015
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 0.1584 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0059 0.0249 0.0249
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0013 0.0109
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0057 0.0465
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0252 0.038
Echinococcus multilocularis jumonji domain containing 1A 0.0019 0.0013 0.0013
Echinococcus granulosus JmjC domain containing protein 4 0.0019 0.0013 0.0013
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0034 0.0104 0.0104
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.004 0.0133 0.0133
Brugia malayi jmjC domain containing protein 0.0019 0.0013 0.0109
Brugia malayi jmjC domain containing protein 0.0194 0.104 0.852
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0109 0.8181
Loa Loa (eye worm) hypothetical protein 0.0167 0.0883 0.724
Schistosoma mansoni ap endonuclease 0.004 0.0133 0.0133
Plasmodium vivax hypothetical protein, conserved 0.0059 0.0249 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0252 0.038
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0109 0.0892
Echinococcus granulosus PHD finger protein rhinoceros 0.0059 0.0249 0.0249
Onchocerca volvulus 0.0167 0.0883 0.6153
Brugia malayi beta-lactamase 0.0035 0.0109 0.0892
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.0252 0.0252
Brugia malayi jmjC domain containing protein 0.0019 0.0013 0.0109
Brugia malayi AF-10 protein 0.0019 0.0015 0.012
Onchocerca volvulus 0.0035 0.0109 0.0388
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0026 0.0054 0.0054
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0019 0.0013 0.0995
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0019 0.0013 0.0995
Schistosoma mansoni hypothetical protein 0.0879 0.5061 0.5061
Loa Loa (eye worm) hypothetical protein 0.0027 0.0057 0.0465
Schistosoma mansoni phd/f-box containing protein 0.0019 0.0013 0.0013
Plasmodium vivax JmjC domain containing protein 0.0019 0.0013 0.0533
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0109 0.8181
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0252 0.0252
Toxoplasma gondii histone lysine methyltransferase SET1 0.023 0.1251 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0034 0.0104 0.0104
Brugia malayi Calcitonin receptor-like protein seb-1 0.0205 0.1103 0.904
Echinococcus multilocularis JmjC domain containing protein 4 0.0019 0.0013 0.0013
Onchocerca volvulus 0.0121 0.061 0.4119
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0109 0.0282
Leishmania major hypothetical protein, conserved 0.0035 0.0109 0.4328
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0065 0.0281 0.2306
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0109 0.031
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0104 0.0104
Brugia malayi latrophilin 2 splice variant baaae 0.014 0.0723 0.5923
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0019 0.0015 0.1101
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.0133 0.5352
Trichomonas vaginalis ap endonuclease, putative 0.004 0.0133 0.0469
Toxoplasma gondii PHD-finger domain-containing protein 0.0019 0.0015 0.0117
Echinococcus granulosus neuropeptide receptor A26 0.046 0.2601 0.2601
Echinococcus multilocularis cpg binding protein 0.0128 0.0651 0.0651
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0019 0.0013 0.0106
Loa Loa (eye worm) hypothetical protein 0.0065 0.0281 0.2306
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0051 0.0198 0.0198
Mycobacterium tuberculosis Conserved protein 0.0035 0.0109 0.0282
Loa Loa (eye worm) hypothetical protein 0.0019 0.0013 0.0109
Echinococcus granulosus intermediate filament protein 0.0027 0.0057 0.0057
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.0019 0.0015 0.0117
Schistosoma mansoni hypothetical protein 0.0879 0.5061 0.5061
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0109 0.8181
Brugia malayi jmjC domain containing protein 0.0079 0.0362 0.2969
Schistosoma mansoni intermediate filament proteins 0.0027 0.0057 0.0057
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.0104 0.0104
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 0.1584 1
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0675 0.3866 1
Schistosoma mansoni jumonji domain containing protein 0.0019 0.0013 0.0013
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0026 0.0054 0.0054
Leishmania major hypothetical protein, conserved 0.0019 0.0013 0.0526
Schistosoma mansoni jumonji/arid domain-containing protein 0.0079 0.0362 0.0362
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.014 0.0723 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.004 0.0133 0.1091
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0081 0.0081
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0109 0.0109
Brugia malayi Pre-SET motif family protein 0.0225 0.122 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.0252 1
Echinococcus granulosus lysine specific demethylase 5A 0.0079 0.0362 0.0362
Toxoplasma gondii PHD-finger domain-containing protein 0.0059 0.0249 0.1987
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.004 0.0133 0.5
Echinococcus granulosus GPCR family 2 0.0065 0.0281 0.0281
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0065 0.0281 0.0281
Giardia lamblia PHD finger protein 15 0.0059 0.0249 0.0796
Schistosoma mansoni phosphatidylserine receptor 0.0019 0.0013 0.0013
Echinococcus multilocularis musashi 0.0027 0.0057 0.0057
Schistosoma mansoni hypothetical protein 0.0065 0.0281 0.0281
Brugia malayi CXXC zinc finger family protein 0.0121 0.061 0.5
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0109 0.0892
Plasmodium vivax SET domain protein, putative 0.0034 0.0104 0.4163
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 0.1584 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0109 0.031
Loa Loa (eye worm) histone methyltransferase 0.0039 0.0127 0.1043
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0109 0.4378
Schistosoma mansoni protein phosphatase 2C 0.0019 0.0013 0.0013
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0059 0.0249 0.0249
Loa Loa (eye worm) hypothetical protein 0.0034 0.0104 0.0848
Brugia malayi Bromodomain containing protein 0.0059 0.0249 0.2038
Mycobacterium tuberculosis Conserved protein 0.0035 0.0109 0.0282
Loa Loa (eye worm) hypothetical protein 0.0026 0.0054 0.0441
Echinococcus granulosus jumonji domain containing 1A 0.0019 0.0013 0.0013
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0039 0.0127 0.0127
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0287 0.1584 1
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0057 0.0465
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0287 0.1584 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0109 0.0892
Onchocerca volvulus 0.0035 0.0109 0.0388
Schistosoma mansoni hypothetical protein 0.0065 0.0281 0.0281
Brugia malayi jmjC domain containing protein 0.0019 0.0013 0.0109
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.0598 0.4901
Echinococcus multilocularis dnaJ subfamily B 0.172 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0252 0.038
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0057 0.0465
Echinococcus granulosus peregrin 0.0059 0.0249 0.0249
Onchocerca volvulus 0.0255 0.14 1
Treponema pallidum fructose-bisphosphate aldolase 0.0287 0.1584 1
Echinococcus granulosus lamin 0.0027 0.0057 0.0057
Schistosoma mansoni hypothetical protein 0.0059 0.0249 0.0249
Echinococcus multilocularis neuropeptide s receptor 0.046 0.2601 0.2601
Plasmodium vivax hypothetical protein, conserved 0.0027 0.0058 0.2328
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0109 0.0282
Brugia malayi hypothetical protein 0.0167 0.0883 0.724
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0104 0.0104
Echinococcus granulosus lamin dm0 0.0027 0.0057 0.0057
Brugia malayi PHD-finger family protein 0.0026 0.0055 0.0451
Plasmodium falciparum conserved Plasmodium membrane protein, unknown function 0.0027 0.0058 0.2328
Loa Loa (eye worm) jmjC domain-containing protein 0.0122 0.0619 0.5072
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0109 0.0282
Echinococcus multilocularis lysine specific demethylase 6a 0.0019 0.0013 0.0013
Brugia malayi jmjC domain containing protein 0.0019 0.0013 0.0109
Loa Loa (eye worm) hypothetical protein 0.0035 0.0109 0.0892
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 0.1584 1
Onchocerca volvulus Alhambra homolog 0.0059 0.0249 0.1429
Schistosoma mansoni cpg binding protein 0.0121 0.061 0.061
Trichomonas vaginalis esterase, putative 0.0035 0.0109 0.031
Echinococcus multilocularis phd:f box containing protein 0.0019 0.0013 0.0013
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.0133 0.5352
Echinococcus multilocularis lamin 0.0027 0.0057 0.0057
Schistosoma mansoni lamin 0.0027 0.0057 0.0057
Brugia malayi beta-lactamase family protein 0.0035 0.0109 0.0892
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.0598 0.4901
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0065 0.0281 0.0281
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0031 0.0084 0.0084
Schistosoma mansoni ap endonuclease 0.004 0.0133 0.0133
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0019 0.0013 0.0995
Echinococcus granulosus neuropeptide s receptor 0.046 0.2601 0.2601
Schistosoma mansoni microtubule-associated protein tau 0.0686 0.393 0.393
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0205 0.1103 0.904
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0252 0.0252
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.0252 0.0651
Echinococcus multilocularis lamin dm0 0.0027 0.0057 0.0057
Trichomonas vaginalis ap endonuclease, putative 0.004 0.0133 0.0469
Echinococcus granulosus geminin 0.0879 0.5061 0.5061
Echinococcus granulosus cpg binding protein 0.0128 0.0651 0.0651
Loa Loa (eye worm) hypothetical protein 0.0035 0.0109 0.0892
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.004 0.0133 0.0064
Loa Loa (eye worm) hypothetical protein 0.0019 0.0013 0.0109
Mycobacterium tuberculosis Conserved protein 0.0035 0.0109 0.0282
Schistosoma mansoni hypothetical protein 0.172 1 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.004 0.0133 0.0133
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0019 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0059 0.0249 0.2038

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 7.32 uM Inhibition of Mycobacterium tuberculosis recombinant MbtA expressed in Escherichia coli by ATP/PPi exchange assay ChEMBL. 17967002
MIC99 (functional) > 200 uM Antimycobacterial activity against Mycobacterium tuberculosis H37Rv in iron deficient GAST medium ChEMBL. 17967002
MIC99 (functional) > 200 uM Antimycobacterial activity against Mycobacterium tuberculosis H37Rv in iron rich GAST medium ChEMBL. 17967002

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

1 literature reference was collected for this gene.

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