Detailed information for compound 156794

Basic information

Technical information
  • TDR Targets ID: 156794
  • Name: (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5 -(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methox yoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-[( 4-methoxyphenyl)methyl]-3,4-dihydro-2H-pyran- 6-carboxamide
  • MW: 578.525 | Formula: C25H30N4O12
  • H donors: 6 H acceptors: 7 LogP: -2.84 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 3
  • SMILES: CO[C@@H]1[C@H](O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O)[C@H](C(=O)N)O[C@H]1OC(=C[C@@H]([C@@H]1O)O)C(=O)NCc1ccc(cc1)OC
  • InChi: 1S/C25H30N4O12/c1-37-12-5-3-11(4-6-12)10-27-22(35)14-9-13(30)16(32)24(39-14)41-20(21(26)34)19-18(38-2)17(33)23(40-19)29-8-7-15(31)28-25(29)36/h3-9,13,16-20,23-24,30,32-33H,10H2,1-2H3,(H2,26,34)(H,27,35)(H,28,31,36)/t13-,16-,17+,18-,19-,20+,23+,24+/m0/s1
  • InChiKey: JHXSFVRRGVERTJ-YEHZMZNXSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxy-tetrahydrofuran-2-yl]-2-oxo-ethoxy]-3,4-dihydroxy-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide
  • (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-3-methoxy-2-tetrahydrofuranyl]-2-oxoethoxy]-3,4-dihydroxy-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide
  • (2S,3S,4S)-2-[(1R)-2-azanyl-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxy-oxolan-2-yl]-2-oxo-ethoxy]-3,4-dihydroxy-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide
  • (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-4-hydroxy-3-methoxy-tetrahydrofuran-2-yl]-2-keto-ethoxy]-3,4-dihydroxy-N-p-anisyl-3,4-dihydro-2H-pyran-6-carboxamide
  • (4S,5S,6S)-6-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-4,5-dihydroxy-N-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-pyran-2-carboxamide
  • (4S,5S,6S)-6-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxy-tetrahydrofuran-2-yl]-2-oxo-ethoxy]-4,5-dihydroxy-N-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-pyran-2-carboxamide
  • (4S,5S,6S)-6-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-3-methoxy-2-tetrahydrofuranyl]-2-oxoethoxy]-4,5-dihydroxy-N-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-pyran-2-carboxamide
  • (4S,5S,6S)-6-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-4-hydroxy-3-methoxy-tetrahydrofuran-2-yl]-2-keto-ethoxy]-4,5-dihydroxy-N-(4-methoxybenzyl)-5,6-dihydro-4H-pyran-2-carboxamide
  • (4S,5S,6S)-6-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxy-oxolan-2-yl]-2-oxo-ethoxy]-4,5-dihydroxy-N-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-pyran-2-carboxamide
  • AIDS-189149
  • AIDS189149
  • (4S,5S,6S)-6-{(R)-1-Carbamoyl-1-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-4-hydroxy-3-methoxy-tetrahydro-furan-2-yl]-methoxy}-4,5-dihydroxy-5,6-dihydro-4H-pyran-2-carboxylic acid 4-methoxy-benzylamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli phospho-N-acetylmuramoyl-pentapeptide transferase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) Get druggable targets OG5_131597 All targets in OG5_131597
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase Get druggable targets OG5_131597 All targets in OG5_131597
Mycobacterium leprae Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX Get druggable targets OG5_131597 All targets in OG5_131597
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase Get druggable targets OG5_131597 All targets in OG5_131597
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX Get druggable targets OG5_131597 All targets in OG5_131597
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase Get druggable targets OG5_131597 All targets in OG5_131597
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
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0079 0.0106
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0079 0.0312
Echinococcus multilocularis UDP N acetylglucosamine dolichyl phosphate 0.0038 0.0297 0.0329
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0072 0.0011
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.0733 0.1811
Mycobacterium tuberculosis Conserved protein 0.0035 0.0269 0.0209
Entamoeba histolytica hypothetical protein 0.0036 0.0279 0.9135
Mycobacterium tuberculosis Conserved protein 0.0035 0.0269 0.0209
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0538 0.7338
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0269 0.0442
Schistosoma mansoni hypothetical protein 0.0036 0.0279 0.3799
Echinococcus granulosus survival motor neuron protein 1 0.0236 0.2543 1
Onchocerca volvulus 0.0035 0.0269 0.0257
Brugia malayi Probable ClpP-like protease 0.0076 0.0733 0.1519
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0026 0.0169 0.0246
Loa Loa (eye worm) hypothetical protein 0.0059 0.0538 0.1049
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.014 0.0068
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0269 0.0209
Loa Loa (eye worm) hypothetical protein 0.0035 0.0269 0.0442
Loa Loa (eye worm) hypothetical protein 0.0035 0.0269 0.0442
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0059 0.0538 0.0596
Leishmania major hypothetical protein, conserved 0.0025 0.0157 0.176
Mycobacterium ulcerans beta-lactamase 0.0035 0.0269 0.0198
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0269 0.0298
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0059 0.0538 0.0596
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0026 0.0169 0.1461
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0076 0.0733 0.0659
Loa Loa (eye worm) hypothetical protein 0.0035 0.0269 0.0442
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.014 0.1376
Brugia malayi beta-lactamase 0.0035 0.0269 0.0477
Toxoplasma gondii ABC1 family protein 0.0035 0.0269 0.2895
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0896 1 1
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0038 0.0297 0.4056
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0057 0.052 0.7093
Brugia malayi Pre-SET motif family protein 0.0059 0.0538 0.1081
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.005 0.0437 0.0378
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.052 0.2046
Brugia malayi hypothetical protein 0.0236 0.2543 0.5578
Mycobacterium tuberculosis Conserved protein 0.0035 0.0269 0.0209
Toxoplasma gondii glycosyl transferase, group 4 family protein 0.0038 0.0297 0.3334
Leishmania major hypothetical protein, conserved 0.0035 0.0269 0.4296
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.0733 0.0666
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0038 0.0297 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.014 0.2782
Schistosoma mansoni survival motor neuron protein 0.0048 0.0417 0.5686
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.081 0.903 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0297 0.0507
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0079 0.0016
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.052 0.0576
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0057 0.052 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.014 0.0068
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0269 0.0477
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0026 0.0169 0.0029
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0057 0.052 0.0451
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0269 0.0373
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0059 0.0538 0.7014
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0157 0.128
Onchocerca volvulus 0.0038 0.0297 0.0314
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0269 0.0198
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0538 0.7338
Leishmania major UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0038 0.0297 0.4947
Loa Loa (eye worm) hypothetical protein 0.0035 0.0269 0.0442
Loa Loa (eye worm) hypothetical protein 0.0024 0.014 0.0152
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0157 0.128
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0269 0.0373
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.005 0.0437 0.0378
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0053 0.0477 0.091
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0269 0.8683
Giardia lamblia UDP-N-acetylglucosamine-dolichyl-phosphateN-acetylglucosaminephosphotransferase 0.0038 0.0297 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0411 0.4514 1
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0269 0.2971
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0896 1 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0269 0.0373
Echinococcus granulosus peptidase Clp S14 family 0.005 0.0437 0.1718
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0269 0.3665
Onchocerca volvulus 0.0468 0.5156 1
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0157 0.1186
Brugia malayi hypothetical protein 0.0025 0.0157 0.0226
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0079 0.0007
Loa Loa (eye worm) hypothetical protein 0.0236 0.2543 0.5562
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.014 0.2782
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0076 0.0733 1
Toxoplasma gondii hypothetical protein 0.0026 0.0169 0.137
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0057 0.052 0.0462
Mycobacterium leprae Probable lipase LipE 0.0035 0.0269 0.0131
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.014 0.0068
Loa Loa (eye worm) hypothetical protein 0.0035 0.0269 0.0442
Entamoeba histolytica UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0038 0.0297 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.014 0.0079
Trypanosoma brucei UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0038 0.0297 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.014 0.0068
Loa Loa (eye worm) hypothetical protein 0.0024 0.014 0.0152
Trichomonas vaginalis set domain proteins, putative 0.0468 0.5156 1
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0269 0.8683
Onchocerca volvulus 0.0035 0.0269 0.0257
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0076 0.0733 0.0602
Echinococcus granulosus histone lysine methyltransferase setb 0.0059 0.0538 0.2116
Mycobacterium ulcerans lipase LipD 0.0035 0.0269 0.0198
Plasmodium vivax N-acetylglucosamine-1-phosphate transferase, putative 0.0038 0.0297 0.3405
Echinococcus multilocularis peptidase Clp (S14 family) 0.005 0.0437 0.0484
Schistosoma mansoni peptidase Clp (S14 family) 0.0076 0.0733 1
Entamoeba histolytica hypothetical protein 0.0036 0.0279 0.9135
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0269 0.0209
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0538 0.7338
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0157 0.3558
Mycobacterium ulcerans undecapaprenyl-phosphate alpha-N-acetylglucosaminyltransferase Rfe 0.0038 0.0297 0.0227
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0269 0.0209
Brugia malayi beta-lactamase family protein 0.0035 0.0269 0.0477
Brugia malayi beta-lactamase family protein 0.0035 0.0269 0.0477
Entamoeba histolytica hypothetical protein 0.0036 0.0279 0.9135
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.0733 0.1811
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0157 0.128
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0269 0.1057
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0269 0.0198
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0417 0.081
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0079 0.0088
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.005 0.0437 0.0301
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0279 0.3799
Brugia malayi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0038 0.0297 0.0541
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.014 0.0068
Schistosoma mansoni ap endonuclease 0.0018 0.0079 0.1083
Onchocerca volvulus 0.0059 0.0538 0.0794
Brugia malayi Pre-SET motif family protein 0.0411 0.4514 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0059 0.0538 0.7338
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0079 0.0052
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.0733 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0079 0.0106
Onchocerca volvulus 0.0035 0.0269 0.0257
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0057 0.0514 0.202
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0269 0.0209
Mycobacterium ulcerans hypothetical protein 0.0024 0.014 0.0068
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0157 0.3558
Loa Loa (eye worm) beta-lactamase 0.0035 0.0269 0.0442
Schistosoma mansoni hypothetical protein 0.0048 0.0417 0.5686
Echinococcus granulosus UDP N acetylglucosamine dolichyl phosphate 0.0038 0.0297 0.117
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.014 0.1376
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0269 0.0209
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0157 0.3558
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.0896 1 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0269 0.0442
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0269 0.0373
Loa Loa (eye worm) hypothetical protein 0.0024 0.014 0.0152
Loa Loa (eye worm) hypothetical protein 0.0302 0.3285 0.7233
Onchocerca volvulus 0.0048 0.0417 0.0552
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.014 0.0068
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0057 0.052 0.0451
Plasmodium vivax SET domain protein, putative 0.0059 0.0538 0.7046
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.014 0.1376
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0076 0.0733 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0076 0.0733 0.1796
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0079 0.0018
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0026 0.0169 0.1461
Loa Loa (eye worm) hypothetical protein 0.0025 0.0157 0.019
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0269 0.0373
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0057 0.052 0.1041
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0279 0.0309
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.014 0.2782
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.0733 0.0666
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0269 0.3665
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.014 0.0068
Echinococcus multilocularis survival motor neuron protein 1 0.0236 0.2543 0.2816
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0038 0.0297 1
Mycobacterium ulcerans hypothetical protein 0.0035 0.0269 0.0198
Brugia malayi AMP-binding enzyme family protein 0.0024 0.014 0.0188
Trichomonas vaginalis esterase, putative 0.0035 0.0269 0.0373
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0269 0.0209
Trichomonas vaginalis glucosaminephosphotransferase, putative 0.0038 0.0297 0.043
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0076 0.0733 0.0812
Onchocerca volvulus 0.0302 0.3285 0.6271
Brugia malayi hypothetical protein 0.0036 0.0279 0.0499
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) 0.0341 0.3722 1
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0038 0.0297 0.4056
Plasmodium falciparum UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0038 0.0297 0.3405
Schistosoma mansoni ap endonuclease 0.0018 0.0079 0.1083
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0269 0.0209
Brugia malayi AMP-binding enzyme family protein 0.0024 0.014 0.0188
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0269 0.0131
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.014 0.0079
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0269 0.8683
Brugia malayi AMP-binding enzyme family protein 0.0024 0.014 0.0188
Brugia malayi hypothetical protein 0.0302 0.3285 0.7243
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0341 0.3722 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0076 0.0733 0.2884
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0224 0.2405 0.2358
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0279 0.1096
Entamoeba histolytica hypothetical protein 0.0036 0.0279 0.9135
Loa Loa (eye worm) hypothetical protein 0.0076 0.0733 0.1488
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.0733 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 700 ng ml-1 Inhibitory activity against translocase I ChEMBL. 14611838
IC50 (binding) = 700 ng ml-1 Inhibitory activity against translocase I ChEMBL. 14611838
MIC (functional) = 100 ug ml-1 Antimycobacterial activity against Mycobacterium smegmatis (SANK 75075) ChEMBL. 14611838

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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