Detailed information for compound 1139166

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 563.4 | Formula: C17H13F4N9O7S
  • H donors: 4 H acceptors: 8 LogP: 0.15 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: [N-]=[N+]=Nc1c(F)c(F)c(c(c1F)F)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N
  • InChi: 1S/C17H13F4N9O7S/c18-6-5(7(19)9(21)10(8(6)20)27-29-23)16(33)28-38(34,35)36-1-4-12(31)13(32)17(37-4)30-3-26-11-14(22)24-2-25-15(11)30/h2-4,12-13,17,31-32H,1H2,(H,28,33)(H2,22,24,25)/t4-,12-,13-,17-/m1/s1
  • InChiKey: WQGUAFUPZBTKRT-PJGOSXBVSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

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

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis ap endonuclease, putative 0.0065 0.0641 0.6704
Loa Loa (eye worm) hypothetical protein 0.0036 0.0184 0.0184
Brugia malayi nuclear receptor RXR 0.0054 0.0472 0.0472
Loa Loa (eye worm) TAR-binding protein 0.0063 0.062 0.062
Echinococcus granulosus FTZ F1 alpha 0.0102 0.124 0.2276
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0102 0.124 1
Schistosoma mansoni nuclear hormone receptor 0.0048 0.038 0.0697
Loa Loa (eye worm) hypothetical protein 0.0036 0.0184 0.0184
Brugia malayi nuclear hormone receptor family member nhr-6 0.0048 0.038 0.038
Mycobacterium leprae Probable lipase LipE 0.0036 0.0184 0.5
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0142 0.1876 0.3442
Loa Loa (eye worm) hypothetical protein 0.0048 0.038 0.038
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0065 0.0641 0.1477
Loa Loa (eye worm) hypothetical protein 0.0102 0.124 0.124
Brugia malayi conserved hypotetical protein 0.0048 0.038 0.038
Loa Loa (eye worm) hypothetical protein 0.0073 0.0776 0.0776
Brugia malayi hypothetical protein 0.0048 0.038 0.038
Schistosoma mansoni tar DNA-binding protein 0.0063 0.062 0.1137
Schistosoma mansoni tar DNA-binding protein 0.0063 0.062 0.1137
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0224 0.0224
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.0296 0.0543
Loa Loa (eye worm) hypothetical protein 0.0651 1 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0065 0.0641 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.038 0.038
Loa Loa (eye worm) hypothetical protein 0.0036 0.0184 0.0184
Entamoeba histolytica hypothetical protein 0.0193 0.2687 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.0296 0.244
Schistosoma mansoni ap endonuclease 0.0065 0.0641 0.1175
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0065 0.0641 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.062 0.1137
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0102 0.124 0.124
Entamoeba histolytica hypothetical protein 0.0193 0.2687 1
Loa Loa (eye worm) DR-78 0.0048 0.038 0.038
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0339 0.0339
Loa Loa (eye worm) hypothetical protein 0.0048 0.038 0.038
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0102 0.124 0.124
Echinococcus multilocularis ecdysone induced protein 78C 0.0102 0.124 0.2276
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0065 0.0641 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.0595 0.1092
Loa Loa (eye worm) hypothetical protein 0.0054 0.0472 0.0472
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0184 0.0184
Loa Loa (eye worm) hypothetical protein 0.0054 0.0472 0.0472
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0146 0.1939 0.3558
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0048 0.038 0.0697
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0054 0.0472 0.0472
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0102 0.124 0.124
Loa Loa (eye worm) hypothetical protein 0.0048 0.038 0.038
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0142 0.1876 0.3442
Schistosoma mansoni thyroid hormone receptor 0.0244 0.3505 0.6431
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0193 0.2687 0.493
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0048 0.038 0.0697
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0102 0.124 0.124
Loa Loa (eye worm) hypothetical protein 0.0048 0.038 0.038
Echinococcus granulosus geminin 0.0366 0.5449 1
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.062 0.062
Brugia malayi hypothetical protein 0.0048 0.038 0.038
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0102 0.124 0.2276
Schistosoma mansoni nuclear receptor 0.0048 0.038 0.0697
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0048 0.038 0.0697
Loa Loa (eye worm) hypothetical protein 0.0048 0.038 0.038
Brugia malayi hypothetical protein 0.0054 0.0472 0.0472
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0048 0.038 0.0697
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0102 0.124 0.2276
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0102 0.124 0.124
Loa Loa (eye worm) hypothetical protein 0.0048 0.038 0.038
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0054 0.0472 0.0866
Loa Loa (eye worm) RNA binding protein 0.0063 0.062 0.062
Loa Loa (eye worm) hypothetical protein 0.0049 0.0399 0.0399
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0485 0.7349 0.7349
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0102 0.124 0.124
Loa Loa (eye worm) hypothetical protein 0.0102 0.124 0.124
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0065 0.0641 0.0641
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0065 0.0641 0.1175
Loa Loa (eye worm) hypothetical protein 0.0048 0.038 0.038
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0339 0.0623
Echinococcus multilocularis FTZ F1 alpha 0.0102 0.124 0.2276
Treponema pallidum exodeoxyribonuclease (exoA) 0.0065 0.0641 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0102 0.124 0.124
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0102 0.124 0.2276
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0102 0.124 0.124
Echinococcus granulosus histone acetyltransferase KAT2B 0.0142 0.1874 0.3438
Schistosoma mansoni tar DNA-binding protein 0.0063 0.062 0.1137
Schistosoma mansoni ap endonuclease 0.0065 0.0641 0.1175
Toxoplasma gondii exonuclease III APE 0.0065 0.0641 1
Schistosoma mansoni hypothetical protein 0.0142 0.1876 0.3442
Loa Loa (eye worm) hypothetical protein 0.0102 0.124 0.124
Loa Loa (eye worm) hypothetical protein 0.0036 0.0184 0.0184
Brugia malayi beta-lactamase family protein 0.0036 0.0184 0.0184
Brugia malayi nuclear receptor NHR-88 0.0102 0.124 0.124
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0102 0.124 0.124
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0184 0.0338
Loa Loa (eye worm) hypothetical protein 0.0102 0.124 0.124
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0102 0.124 0.124
Echinococcus granulosus Nuclear hormone receptor HR96 0.0048 0.038 0.0697
Schistosoma mansoni hypothetical protein 0.0366 0.5449 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0339 0.0623
Brugia malayi Steroid receptor seven-up type 2 0.0102 0.124 0.124
Echinococcus multilocularis tar DNA binding protein 0.0063 0.062 0.1137
Loa Loa (eye worm) hypothetical protein 0.0102 0.124 0.124
Loa Loa (eye worm) hypothetical protein 0.0038 0.0224 0.0224
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0102 0.124 0.124
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0102 0.124 0.2276
Loa Loa (eye worm) nuclear hormone receptor 0.0048 0.038 0.038
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.0595 0.1092
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0084 0.0953 0.1749
Brugia malayi nuclear hormone receptor 0.0102 0.124 0.124
Onchocerca volvulus 0.0048 0.038 0.185
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0184 0.5
Brugia malayi nuclear hormone receptor 0.0048 0.038 0.038
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0595 0.9005
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0102 0.124 0.2276
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0054 0.0472 0.0866
Brugia malayi beta-lactamase family protein 0.0036 0.0184 0.0184
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0102 0.124 0.2276
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.0399 0.0731
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0062 0.0595 0.133
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.0296 0.1636
Schistosoma mansoni transcription factor LCR-F1 0.0193 0.2687 0.493
Brugia malayi nuclear receptor RXR 0.0048 0.038 0.038
Schistosoma mansoni voltage-gated potassium channel 0.0092 0.1076 0.1975
Brugia malayi RNA binding protein 0.0063 0.062 0.062
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0054 0.0472 0.0866
Loa Loa (eye worm) hypothetical protein 0.0048 0.038 0.038
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0102 0.124 0.2276
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0102 0.124 0.124
Entamoeba histolytica hypothetical protein 0.0193 0.2687 1
Schistosoma mansoni hypothetical protein 0.0366 0.5449 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.0048 0.038 0.038
Loa Loa (eye worm) hypothetical protein 0.0102 0.124 0.124
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0595 0.9005
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0054 0.0472 0.0866
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0102 0.124 0.2276
Schistosoma mansoni hypothetical protein 0.0038 0.0224 0.0411
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.0508 0.0508
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0102 0.124 0.124
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0048 0.038 0.0697
Brugia malayi Nuclear hormone receptor E75 0.0048 0.038 0.038
Onchocerca volvulus Protein ultraspiracle homolog 0.0102 0.124 1
Echinococcus multilocularis tumor protein p63 0.0337 0.499 0.9157
Brugia malayi Nuclear hormone receptor-like 1 0.0054 0.0472 0.0472
Loa Loa (eye worm) acetyltransferase 0.0146 0.1939 0.1939
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0102 0.124 0.124
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0048 0.038 0.185
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0184 0.0338
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0065 0.0641 1
Loa Loa (eye worm) steroid hormone receptor 0.0102 0.124 0.124
Echinococcus granulosus nuclear receptor nhr 48 0.0048 0.038 0.0697
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0339 0.0623
Brugia malayi orphan nuclear receptor NR2E1 0.0048 0.038 0.038
Trichomonas vaginalis ap endonuclease, putative 0.0065 0.0641 0.6704
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.0595 0.9005
Echinococcus granulosus tar DNA binding protein 0.0063 0.062 0.1137
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.0296 0.244
Brugia malayi TAR-binding protein 0.0063 0.062 0.062
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0048 0.038 0.0697
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0102 0.124 0.2276
Onchocerca volvulus 0.0102 0.124 1
Brugia malayi Nuclear hormone receptor-like 1 0.0102 0.124 0.124
Schistosoma mansoni voltage-gated potassium channel 0.0092 0.1076 0.1975
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0339 0.0339
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0102 0.124 0.2276
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0048 0.038 0.185
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0065 0.0641 0.1642
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0065 0.0641 1
Brugia malayi exodeoxyribonuclease III family protein 0.0065 0.0641 0.0641
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0339 0.0623
Schistosoma mansoni RAR-like nuclear receptor 0.0102 0.124 0.2276
Loa Loa (eye worm) hypothetical protein 0.0048 0.038 0.038
Loa Loa (eye worm) hypothetical protein 0.0054 0.0472 0.0472
Loa Loa (eye worm) hypothetical protein 0.0048 0.038 0.038
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0102 0.124 0.2276
Loa Loa (eye worm) beta-lactamase 0.0036 0.0184 0.0184
Brugia malayi Nuclear hormone receptor-like 1 0.0054 0.0472 0.0472
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0184 0.0184
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0184 0.0338
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0048 0.038 0.038
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0048 0.038 0.0697
Loa Loa (eye worm) hypothetical protein 0.0102 0.124 0.124
Brugia malayi acetyltransferase, GNAT family protein 0.0146 0.1939 0.1939
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0048 0.038 0.038
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0079 0.0865 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0339 0.0623
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0595 0.1092
Loa Loa (eye worm) hypothetical protein 0.0036 0.0184 0.0184
Brugia malayi photoreceptor-specific nuclear receptor 0.0102 0.124 0.124
Brugia malayi Nuclear hormone receptor E75 0.0048 0.038 0.038
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0102 0.124 0.2276
Schistosoma mansoni nuclear hormone receptor 0.0102 0.124 0.2276
Schistosoma mansoni hypothetical protein 0.0193 0.2687 0.493
Brugia malayi hypothetical protein 0.0054 0.0472 0.0472
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0084 0.0953 0.0953
Schistosoma mansoni retinoic acid receptor RXR 0.0102 0.124 0.2276
Loa Loa (eye worm) hypothetical protein 0.0054 0.0472 0.0472
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.0296 0.244
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0102 0.124 0.124
Brugia malayi hypothetical protein 0.0193 0.2687 0.2687
Echinococcus multilocularis geminin 0.0366 0.5449 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0244 0.3505 0.6431
Schistosoma mansoni steroid hormone receptor ad4bp 0.0102 0.124 0.2276
Loa Loa (eye worm) hypothetical protein 0.0054 0.0472 0.0472
Schistosoma mansoni nuclear hormone receptor 0.0048 0.038 0.0697
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0048 0.038 0.0697
Brugia malayi nuclear hormone receptor family member odr-7 0.0048 0.038 0.038
Loa Loa (eye worm) hypothetical protein 0.0036 0.0184 0.0184
Schistosoma mansoni coup transcription factor 0.0102 0.124 0.2276
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0595 0.9005
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0065 0.0641 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0102 0.124 0.2276
Echinococcus granulosus tumor protein p63 0.0337 0.499 0.9157
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.0508 0.0508
Loa Loa (eye worm) hypothetical protein 0.0056 0.0508 0.0508
Loa Loa (eye worm) hypothetical protein 0.0048 0.038 0.038
Schistosoma mansoni nuclear receptor nhr-48 0.0048 0.038 0.0697
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0595 0.1092
Brugia malayi tailless protein 0.0048 0.038 0.038
Brugia malayi ecdysteroid receptor 0.0102 0.124 0.124
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0102 0.124 0.124
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0102 0.124 0.124
Brugia malayi nuclear receptor NHR-67 0.0048 0.038 0.038
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0102 0.124 0.2276
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.0296 0.1636
Brugia malayi nuclear receptor NHR-88 0.0048 0.038 0.038
Schistosoma mansoni thyroid hormone receptor 0.0244 0.3505 0.6431
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0102 0.124 0.124
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0065 0.0641 0.1175
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0102 0.124 0.124
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0102 0.124 0.2276
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0102 0.124 0.2276
Onchocerca volvulus 0.0049 0.0399 0.2028
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0065 0.0641 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0048 0.038 0.0697
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0084 0.0953 0.1749
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.062 0.062
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0084 0.0953 0.0953
Brugia malayi ecdysone receptor 0.0048 0.038 0.038
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0065 0.0641 0.5
Brugia malayi beta-lactamase 0.0036 0.0184 0.0184
Onchocerca volvulus Bile acid receptor homolog 0.0102 0.124 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.124 0.124
Echinococcus granulosus ecdysone induced protein 78C 0.0102 0.124 0.2276
Echinococcus multilocularis nuclear receptor nhr 48 0.0048 0.038 0.0697
Loa Loa (eye worm) hypothetical protein 0.0048 0.038 0.038
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0062 0.0595 0.9005
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0339 0.0623
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0193 0.2687 0.493
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0102 0.124 0.2276
Brugia malayi follicle stimulating hormone receptor 0.0485 0.7349 0.7349
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0048 0.038 0.0697
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0102 0.124 0.2276
Onchocerca volvulus 0.0048 0.038 0.185
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0102 0.124 0.124
Entamoeba histolytica hypothetical protein 0.0193 0.2687 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0065 0.0641 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0079 0.0865 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0229 0.3273 1
Schistosoma mansoni nuclear receptor 0.0048 0.038 0.0697
Schistosoma mansoni tar DNA-binding protein 0.0063 0.062 0.1137
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0102 0.124 0.2276
Brugia malayi steroid hormone receptor 0.0102 0.124 0.124
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0339 0.0623
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0146 0.1939 0.3558
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.0508 0.0508
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0184 0.0338
Schistosoma mansoni zinc finger protein 0.0048 0.038 0.0697
Echinococcus granulosus thyroid hormone receptor alpha 0.0048 0.038 0.0697

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) > 100 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.