Detailed information for compound 999127

Basic information

Technical information
  • TDR Targets ID: 999127
  • Name: 2-[3-(1-phenacyl-6,7,8,9-tetrahydro-5H-[1,2,4 ]triazolo[4,5-a]azepin-4-ium-3-yl)-6,7,8,9-te trahydro-5H-[1,2,4]triazolo[4,5-a]azepin-4-iu m-1-yl]-1-phenylethanone dibromide
  • MW: 670.438 | Formula: C30H34Br2N6O2
  • H donors: 0 H acceptors: 4 LogP: 7.16 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(c1ccccc1)C[n+]1nc(n2c1CCCCC2)c1n[n+](c2n1CCCCC2)CC(=O)c1ccccc1.[Br-].[Br-]
  • InChi: 1S/C30H34N6O2.2BrH/c37-25(23-13-5-1-6-14-23)21-35-27-17-9-3-11-19-33(27)29(31-35)30-32-36(28-18-10-4-12-20-34(28)30)22-26(38)24-15-7-2-8-16-24;;/h1-2,5-8,13-16H,3-4,9-12,17-22H2;2*1H/q+2;;/p-2
  • InChiKey: RSUFJPNJTXYLQO-UHFFFAOYSA-L  


Substructure search Similarity search

Network

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Synonyms

  • 2-[3-(1-phenacyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,5-a]azepin-4-ium-3-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,5-a]azepin-4-ium-1-yl]-1-phenyl-ethanone dibromide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Nuclear hormone receptor family member nhr-41 0.003 0.0234 0.029
Schistosoma mansoni hypothetical protein 0.005 0.0534 0.0534
Trypanosoma brucei trypanothione reductase 0.0046 0.0482 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0332 0.0332
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.005 0.0534 0.0534
Schistosoma mansoni thyroid hormone receptor 0.003 0.0234 0.0234
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.003 0.0234 0.0234
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0312 0.6245
Schistosoma mansoni hypothetical protein 0.0398 0.5711 0.5711
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0063 1
Onchocerca volvulus 0.003 0.0234 0.376
Schistosoma mansoni hypothetical protein 0.0036 0.0332 0.0332
Brugia malayi hypothetical protein 0.0016 0.0029 0.0036
Mycobacterium ulcerans beta-lactamase 0.0035 0.0312 0.035
Toxoplasma gondii exonuclease III APE 0.0018 0.0063 0.0246
Plasmodium falciparum glutathione reductase 0.0046 0.0482 1
Echinococcus granulosus potassium voltage gated channel subfamily KQT 0.0064 0.0745 0.0745
Schistosoma mansoni coup transcription factor 0.003 0.0234 0.0234
Brugia malayi Steroid receptor seven-up type 2 0.003 0.0234 0.029
Loa Loa (eye worm) hypothetical protein 0.003 0.0234 0.029
Onchocerca volvulus 0.0035 0.0312 0.5016
Brugia malayi steroid hormone receptor 0.003 0.0234 0.029
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0159 0.2855
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0312 0.035
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0332 0.0332
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.003 0.0234 0.029
Loa Loa (eye worm) voltage-gated potassium channel 0.014 0.1876 0.2322
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0312 0.0312
Mycobacterium tuberculosis Probable oxidoreductase 0.0118 0.1542 0.4892
Brugia malayi Nuclear hormone receptor family member nhr-31 0.003 0.0234 0.029
Loa Loa (eye worm) potassium voltage-gated channel subfamily Q member 5 0.0064 0.0745 0.0922
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.003 0.0234 0.0234
Schistosoma mansoni hypothetical protein 0.005 0.0534 0.0534
Brugia malayi Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog 0.0143 0.1912 0.2366
Onchocerca volvulus Bile acid receptor homolog 0.003 0.0234 0.376
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.003 0.0038
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0063 0.0106
Loa Loa (eye worm) hypothetical protein 0.003 0.0234 0.029
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0312 0.0386
Onchocerca volvulus Protein ultraspiracle homolog 0.003 0.0234 0.376
Schistosoma mansoni hypothetical protein 0.005 0.0534 0.0534
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0234 0.029
Loa Loa (eye worm) hypothetical protein 0.003 0.0234 0.029
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.003 0.003
Mycobacterium tuberculosis Probable reductase 0.0106 0.1366 0.4323
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0063 0.0041
Echinococcus multilocularis GPCR, family 2 0.005 0.0534 0.0534
Loa Loa (eye worm) hypothetical protein 0.003 0.0234 0.029
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0234 0.029
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0312 0.6245
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0234 0.029
Schistosoma mansoni retinoic acid receptor RXR 0.003 0.0234 0.0234
Entamoeba histolytica hypothetical protein 0.0036 0.0332 1
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0159 0.2855
Leishmania major hypothetical protein, conserved 0.0025 0.0159 0.2855
Loa Loa (eye worm) hypothetical protein 0.0016 0.0025 0.0031
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0063 0.0729
Loa Loa (eye worm) hypothetical protein 0.0108 0.1397 0.1728
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0234 0.029
Brugia malayi hypothetical protein 0.0036 0.0332 0.0411
Echinococcus granulosus retinoic acid receptor rxr beta a 0.003 0.0234 0.0234
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0312 0.0912
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0234 0.0234
Loa Loa (eye worm) hypothetical protein 0.0016 0.0025 0.0031
Loa Loa (eye worm) beta-lactamase 0.0035 0.0312 0.0386
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0312 0.0912
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0312 0.0912
Loa Loa (eye worm) hypothetical protein 0.003 0.0234 0.029
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0234 0.0234
Loa Loa (eye worm) hypothetical protein 0.0016 0.0025 0.0031
Brugia malayi Calcitonin receptor-like protein seb-1 0.0158 0.214 0.2648
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0118 0.1542 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.003 0.003
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0063 0.0063
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0312 0.0312
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.003 0.0234 0.0234
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.005 0.0534 0.0661
Brugia malayi Nuclear hormone receptor family member nhr-49 0.003 0.0234 0.029
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0312 0.035
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0017 0.0048 0.0048
Entamoeba histolytica hypothetical protein 0.0036 0.0332 1
Brugia malayi photoreceptor-specific nuclear receptor 0.003 0.0234 0.029
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0482 0.0482
Loa Loa (eye worm) hypothetical protein 0.0064 0.0745 0.0922
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0312 0.0312
Loa Loa (eye worm) glutathione reductase 0.0046 0.0482 0.0596
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0063 0.0729
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0063 0.0078
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0312 0.035
Brugia malayi nuclear receptor RXR 0.0016 0.0025 0.0031
Loa Loa (eye worm) hypothetical protein 0.0035 0.0312 0.0386
Schistosoma mansoni cpg binding protein 0.0059 0.067 0.067
Toxoplasma gondii thioredoxin reductase 0.0046 0.0482 0.3378
Schistosoma mansoni steroid hormone receptor ad4bp 0.003 0.0234 0.0234
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0016 0.0025 0.0025
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0106 0.1366 0.8571
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0063 0.0063
Leishmania major trypanothione reductase 0.0046 0.0482 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0159 0.0197
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.003 0.0234 0.029
Schistosoma mansoni nuclear hormone receptor 0.003 0.0234 0.0234
Schistosoma mansoni ap endonuclease 0.0018 0.0063 0.0063
Echinococcus granulosus dnaJ subfamily B 0.0398 0.5711 0.5711
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.0143 0.1912 0.1912
Mycobacterium tuberculosis Conserved protein 0.0035 0.0312 0.0912
Echinococcus multilocularis dnaJ subfamily B 0.0398 0.5711 0.5711
Schistosoma mansoni thyroid hormone receptor 0.003 0.0234 0.0234
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0312 0.0912
Mycobacterium ulcerans glutaminase 0.0558 0.808 1
Schistosoma mansoni cpg binding protein 0.0056 0.0622 0.0622
Echinococcus granulosus FTZ F1 alpha 0.003 0.0234 0.0234
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0234 0.0234
Loa Loa (eye worm) hypothetical protein 0.0035 0.0312 0.0386
Echinococcus granulosus potassium channel KvQLT family member kqt 1 0.0143 0.1912 0.1912
Echinococcus granulosus GPCR family 2 0.005 0.0534 0.0534
Schistosoma mansoni ap endonuclease 0.0018 0.0063 0.0063
Brugia malayi beta-lactamase family protein 0.0035 0.0312 0.0386
Loa Loa (eye worm) CXXC zinc finger family protein 0.0056 0.0622 0.077
Loa Loa (eye worm) hypothetical protein 0.0064 0.0745 0.0922
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0158 0.214 0.2648
Brugia malayi hypothetical protein 0.0016 0.0025 0.0031
Schistosoma mansoni cpg binding protein 0.0059 0.067 0.067
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0312 0.0386
Loa Loa (eye worm) hypothetical protein 0.0035 0.0312 0.0386
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0159 0.2855
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0025 0.0031
Loa Loa (eye worm) latrophilin receptor protein 2 0.005 0.0534 0.0661
Plasmodium falciparum thioredoxin reductase 0.0046 0.0482 1
Onchocerca volvulus 0.0056 0.0622 1
Schistosoma mansoni hypothetical protein 0.0687 1 1
Mycobacterium ulcerans lipase LipD 0.0035 0.0312 0.035
Loa Loa (eye worm) glutaminase 2 0.0558 0.808 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0063 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.003 0.0234 0.029
Mycobacterium ulcerans hypothetical protein 0.0035 0.0312 0.035
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.003 0.0234 0.0234
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0016 0.0025 0.0025
Brugia malayi nuclear receptor NHR-88 0.003 0.0234 0.029
Brugia malayi Thioredoxin reductase 0.0046 0.0482 0.0596
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0312 0.0912
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.003 0.0234 0.0234
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.003 0.0234 0.0234
Echinococcus multilocularis cpg binding protein 0.0059 0.067 0.067
Plasmodium vivax glutathione reductase, putative 0.0046 0.0482 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.005 0.0534 0.0534
Schistosoma mansoni hypothetical protein 0.0108 0.1397 0.1397
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0106 0.1366 0.4323
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0312 0.035
Mycobacterium tuberculosis Conserved protein 0.0035 0.0312 0.0912
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0234 0.029
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0312 0.035
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0063 0.0729
Brugia malayi Nuclear hormone receptor family member nhr-1 0.003 0.0234 0.029
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0063 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.003 0.0234 0.029
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0312 0.0912
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0063 0.0041
Schistosoma mansoni Tr4/Tr2 (homologue) 0.003 0.0234 0.0234
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0106 0.1366 0.4323
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0063 0.0729
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.003 0.0234 0.0234
Loa Loa (eye worm) hypothetical protein 0.0016 0.0025 0.0031
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0482 0.146
Onchocerca volvulus 0.0035 0.0312 0.5016
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0016 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.003 0.0234 0.029
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0159 0.0964
Loa Loa (eye worm) hypothetical protein 0.0158 0.214 0.2648
Chlamydia trachomatis LL-diaminopimelate aminotransferase 0.0565 0.8183 1
Onchocerca volvulus 0.0035 0.0312 0.5016
Brugia malayi beta-lactamase family protein 0.0035 0.0312 0.0386
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.003 0.0234 0.0234
Loa Loa (eye worm) hypothetical protein 0.0016 0.0025 0.0031
Leishmania major hypothetical protein, conserved 0.0035 0.0312 0.6245
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0234 0.029
Loa Loa (eye worm) steroid hormone receptor 0.003 0.0234 0.029
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.003 0.003
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.005 0.0534 0.0534
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0158 0.214 0.2648
Entamoeba histolytica hypothetical protein 0.0036 0.0332 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.003 0.0234 0.376
Echinococcus granulosus ecdysone induced protein 78C 0.003 0.0234 0.0234
Loa Loa (eye worm) hypothetical protein 0.003 0.0234 0.029
Loa Loa (eye worm) hypothetical protein 0.0035 0.0312 0.0386
Schistosoma mansoni RAR-like nuclear receptor 0.003 0.0234 0.0234
Schistosoma mansoni voltage-gated potassium channel KCNQ 0.0143 0.1912 0.1912
Brugia malayi Nuclear hormone receptor family member nhr-14 0.003 0.0234 0.029
Brugia malayi beta-lactamase 0.0035 0.0312 0.0386
Echinococcus multilocularis FTZ F1 alpha 0.003 0.0234 0.0234
Brugia malayi glutathione reductase 0.0046 0.0482 0.0596
Trichomonas vaginalis glutaminase, putative 0.0558 0.808 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0159 0.2855
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0312 0.035
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0332 0.0332
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0482 1
Brugia malayi Latrophilin receptor protein 2 0.005 0.0534 0.0661
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.003 0.0234 0.029
Loa Loa (eye worm) hypothetical protein 0.003 0.0234 0.029
Brugia malayi CXXC zinc finger family protein 0.0056 0.0622 0.077
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0106 0.1366 0.4323
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0017 0.0048 0.0048
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0025 0.0031
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0482 0.0482
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0063 0.0078
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0118 0.1542 0.4892
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0106 0.1366 0.4323
Brugia malayi Nuclear hormone receptor family member nhr-40 0.003 0.0234 0.029
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.0064 0.0745 0.0745
Loa Loa (eye worm) histone methyltransferase 0.0017 0.0048 0.006
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.003 0.0234 0.0234
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0063 0.0729
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0063 0.0729
Toxoplasma gondii ABC1 family protein 0.0035 0.0312 0.211
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.003 0.0234 0.0234
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0159 0.2855
Schistosoma mansoni hypothetical protein 0.005 0.0534 0.0534
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0312 0.0312
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0482 0.0596
Trichomonas vaginalis esterase, putative 0.0035 0.0312 0.035
Echinococcus multilocularis thyroid hormone receptor alpha 0.003 0.0234 0.0234
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.003 0.0234 0.0234
Brugia malayi F/Y-rich N-terminus family protein 0.0017 0.0045 0.0056
Brugia malayi hypothetical protein 0.0025 0.0159 0.0197
Loa Loa (eye worm) glutaminase 0.0558 0.808 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0312 0.0386
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0016 0.0025 0.0025
Brugia malayi hypothetical protein 0.0016 0.0025 0.0031
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0016 0.0025 0.0031
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0119 0.1554 0.1554
Schistosoma mansoni hypothetical protein 0.0687 1 1
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0482 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0312 0.0386
Entamoeba histolytica hypothetical protein 0.0036 0.0332 1
Echinococcus granulosus cpg binding protein 0.0059 0.067 0.067
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.003 0.0234 0.0234
Brugia malayi Nuclear hormone receptor-like 1 0.003 0.0234 0.029
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0312 0.035
Brugia malayi glutaminase DH11.1 0.0558 0.808 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0534 0.0661
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0312 0.0912
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0312 0.6245
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0312 0.6245
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0234 0.0234
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.003 0.0234 0.029
Mycobacterium tuberculosis Conserved protein 0.0035 0.0312 0.0912
Brugia malayi Nuclear hormone receptor family member nhr-3 0.003 0.0234 0.029
Brugia malayi ecdysteroid receptor 0.003 0.0234 0.029
Brugia malayi nuclear hormone receptor 0.003 0.0234 0.029
Echinococcus multilocularis geminin 0.0687 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.003 0.0234 0.0234
Toxoplasma gondii histone lysine methyltransferase SET1 0.0106 0.1366 1
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0159 0.2855
Schistosoma mansoni retinoid-x-receptor (RXR) 0.003 0.0234 0.0234
Schistosoma mansoni glutaminase 0.0558 0.808 0.808
Brugia malayi latrophilin 2 splice variant baaae 0.0108 0.1397 0.1728
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0118 0.1542 0.4892
Mycobacterium tuberculosis Probable dehydrogenase 0.0106 0.1366 0.4323
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0224 0.312 1
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0063 0.0041
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.005 0.0534 0.0534
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.003 0.0234 0.029

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5174 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (binding) = 39.8107 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

No literature references available for this target.

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