Detailed information for compound 36773

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 447.544 | Formula: C23H29NO6S
  • H donors: 2 H acceptors: 5 LogP: 1.93 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: O[C@H](/C=C/C1=C(C/C=C\CCCC(=O)NS(=O)(=O)C)C(=O)CC1)COc1ccccc1
  • InChi: 1S/C23H29NO6S/c1-31(28,29)24-23(27)12-8-3-2-7-11-21-18(14-16-22(21)26)13-15-19(25)17-30-20-9-5-4-6-10-20/h2,4-7,9-10,13,15,19,25H,3,8,11-12,14,16-17H2,1H3,(H,24,27)/b7-2-,15-13+/t19-/m1/s1
  • InChiKey: LCVMHFOFZFAUTL-QGVSXRGVSA-N  


Substructure search Similarity search

Network

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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
Toxoplasma gondii Hsp90 domain-containing protein 0.016 0.2139 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.003 0.0245 0.0245
Entamoeba histolytica acyl-CoA synthetase, putative 0.0048 0.05 0.4449
Schistosoma mansoni nuclear hormone receptor 0.0027 0.0198 0.0198
Loa Loa (eye worm) hypothetical protein 0.009 0.1118 0.1297
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0044 0.0443 0.0443
Brugia malayi Nuclear hormone receptor-like 1 0.0057 0.0638 0.074
Plasmodium falciparum heat shock protein 90, putative 0.016 0.2139 1
Brugia malayi hypothetical protein 0.003 0.0245 0.0285
Brugia malayi AMP-binding enzyme family protein 0.0048 0.05 0.0581
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0091 0.1125 1
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0017 0.0055 0.0924
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0057 0.0638 0.074
Brugia malayi Protein kinase domain containing protein 0.0091 0.1125 0.1305
Brugia malayi Nuclear hormone receptor E75 0.0027 0.0198 0.023
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0057 0.0638 0.0638
Brugia malayi Latrophilin receptor protein 2 0.0049 0.0516 0.0599
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0027 0.0198 0.0198
Schistosoma mansoni hypothetical protein 0.0342 0.4775 0.4775
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0027 0.0198 0.0198
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0177 0.083
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0036 0.0036
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0057 0.0638 0.074
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0057 0.0638 0.074
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0057 0.0638 0.074
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0049 0.0516 0.0599
Brugia malayi nuclear receptor NHR-88 0.0027 0.0198 0.023
Onchocerca volvulus 0.0027 0.0198 0.0971
Schistosoma mansoni nuclear receptor 0.0027 0.0198 0.0198
Entamoeba histolytica protein kinase, putative 0.0091 0.1125 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0177 0.1578
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0057 0.0638 0.0638
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0036 0.0321
Brugia malayi latrophilin 2 splice variant baaae 0.0105 0.1339 0.1554
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0038 0.0356 0.3169
Loa Loa (eye worm) hypothetical protein 0.0027 0.0198 0.023
Trichomonas vaginalis ap endonuclease, putative 0.0038 0.0356 0.8887
Trichomonas vaginalis antibiotic synthetase, putative 0.0014 0.001 0.025
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0057 0.0638 0.0638
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0014 0.001 0.0047
Loa Loa (eye worm) nuclear hormone receptor 0.0027 0.0198 0.023
Schistosoma mansoni RAR-like nuclear receptor 0.0057 0.0638 0.0638
Entamoeba histolytica protein kinase domain containing protein 0.0091 0.1125 1
Echinococcus multilocularis geminin 0.0342 0.4775 0.4775
Echinococcus granulosus dual specificity 0.0091 0.1125 0.1125
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0036 0.0042
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0091 0.1125 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0154 0.2049 0.2377
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0091 0.1125 0.1305
Brugia malayi small heat shock protein 0.0606 0.8618 1
Schistosoma mansoni hypothetical protein 0.0105 0.1339 0.1339
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.05 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0036 0.0036
Loa Loa (eye worm) nuclear receptor NHR-67 0.0027 0.0198 0.023
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0297 0.5844
Loa Loa (eye worm) hypothetical protein 0.0606 0.8618 1
Schistosoma mansoni retinoic acid receptor RXR 0.0057 0.0638 0.0638
Echinococcus granulosus thyroid hormone receptor alpha 0.0027 0.0198 0.0198
Echinococcus multilocularis microtubule associated protein 2 0.0701 1 1
Schistosoma mansoni hypothetical protein 0.0342 0.4775 0.4775
Brugia malayi nuclear hormone receptor family member odr-7 0.0027 0.0198 0.023
Echinococcus granulosus jun protein 0.0188 0.2537 0.2537
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.05 0.4449
Loa Loa (eye worm) hypothetical protein 0.0027 0.0198 0.023
Echinococcus multilocularis FTZ F1 alpha 0.0057 0.0638 0.0638
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0014 0.001 0.001
Loa Loa (eye worm) hypothetical protein 0.024 0.3289 0.3816
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0027 0.0198 0.023
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0517 0.0599
Echinococcus granulosus endoplasmin 0.0017 0.0055 0.0055
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0017 0.0055 0.0055
Brugia malayi nuclear receptor RXR 0.0027 0.0198 0.023
Loa Loa (eye worm) hypothetical protein 0.0036 0.0325 0.0377
Loa Loa (eye worm) hypothetical protein 0.0027 0.0198 0.023
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0038 0.0356 0.3169
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0014 0.001 0.0089
Brugia malayi Nuclear hormone receptor E75 0.0027 0.0198 0.023
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0036 0.0169
Trypanosoma cruzi heat shock protein, putative 0.0017 0.0055 0.0492
Loa Loa (eye worm) hypothetical protein 0.003 0.0245 0.0285
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0036 0.0321
Toxoplasma gondii heat shock protein 75, putative 0.0017 0.0055 0.0259
Schistosoma mansoni hypothetical protein 0.0049 0.0517 0.0517
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0057 0.0638 0.074
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0041 0.0401 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0027 0.0198 0.0198
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0177 0.1578
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0027 0.0198 0.0198
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0057 0.0638 0.0638
Brugia malayi hypothetical protein 0.0027 0.0198 0.023
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.05 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0057 0.0638 0.074
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0036 0.0321
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0027 0.0198 0.0971
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0048 0.05 1
Brugia malayi hypothetical protein 0.0147 0.1951 0.2263
Toxoplasma gondii propionate-CoA ligase 0.0014 0.001 0.0047
Schistosoma mansoni nuclear receptor nhr-48 0.0027 0.0198 0.0198
Leishmania major acetyl-CoA synthetase, putative 0.0014 0.001 0.0089
Loa Loa (eye worm) hypothetical protein 0.0057 0.0638 0.074
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0057 0.0638 0.3234
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0014 0.001 0.0012
Loa Loa (eye worm) heat shock protein 75 0.0017 0.0055 0.0064
Loa Loa (eye worm) hypothetical protein 0.0036 0.0325 0.0377
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0014 0.001 0.0089
Schistosoma mansoni hypothetical protein 0.0153 0.2025 0.2025
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0057 0.0638 0.074
Loa Loa (eye worm) hypothetical protein 0.0057 0.0638 0.074
Brugia malayi Steroid receptor seven-up type 2 0.0057 0.0638 0.074
Loa Loa (eye worm) hypothetical protein 0.003 0.0245 0.0285
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0014 0.001 0.0089
Schistosoma mansoni voltage-gated potassium channel 0.0048 0.0501 0.0501
Loa Loa (eye worm) hypothetical protein 0.0048 0.05 0.0581
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0057 0.0638 0.0638
Echinococcus multilocularis ecdysone induced protein 78C 0.0057 0.0638 0.0638
Plasmodium vivax acetyl-CoA synthetase, putative 0.0014 0.001 0.0047
Brugia malayi nuclear hormone receptor family member nhr-6 0.0027 0.0198 0.023
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0049 0.0516 0.0516
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0297 0.5844
Loa Loa (eye worm) hypothetical protein 0.0014 0.001 0.0012
Brugia malayi isocitrate dehydrogenase 0.0016 0.0036 0.0042
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0057 0.0638 0.0638
Onchocerca volvulus Protein ultraspiracle homolog 0.0057 0.0638 0.3234
Brugia malayi ecdysone receptor 0.0027 0.0198 0.023
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0017 0.0055 0.0234
Loa Loa (eye worm) hypothetical protein 0.0057 0.0638 0.074
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0036 0.0036
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0038 0.0356 0.3169
Schistosoma mansoni nuclear hormone receptor 0.0027 0.0198 0.0198
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0027 0.0198 0.0198
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0297 0.5844
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0048 0.05 1
Brugia malayi AMP-binding enzyme family protein 0.0014 0.001 0.0012
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0048 0.05 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0057 0.0638 0.0638
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0017 0.0055 0.0055
Entamoeba histolytica protein kinase, putative 0.0091 0.1125 1
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0014 0.001 0.001
Brugia malayi ecdysteroid receptor 0.0057 0.0638 0.074
Brugia malayi exodeoxyribonuclease III family protein 0.0038 0.0356 0.0414
Onchocerca volvulus 0.0048 0.05 0.2527
Loa Loa (eye worm) hypothetical protein 0.0027 0.0198 0.023
Brugia malayi AMP-binding enzyme family protein 0.0014 0.001 0.0012
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0049 0.0516 0.0516
Schistosoma mansoni nuclear hormone receptor 0.0057 0.0638 0.0638
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0036 0.0036
Entamoeba histolytica acyl-CoA synthetase, putative 0.0048 0.05 0.4449
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0014 0.001 0.0089
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0038 0.0356 0.0414
Schistosoma mansoni hypothetical protein 0.0049 0.0516 0.0516
Echinococcus multilocularis jun protein 0.0188 0.2537 0.2537
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0014 0.001 0.0047
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0177 0.083
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.003 0.0245 0.0245
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0057 0.0638 0.0638
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.0356 0.1666
Loa Loa (eye worm) hypothetical protein 0.0027 0.0198 0.023
Echinococcus granulosus geminin 0.0342 0.4775 0.4775
Brugia malayi hypothetical protein 0.003 0.0245 0.0285
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0036 0.0325 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0188 0.2537 0.2537
Loa Loa (eye worm) DR-78 0.0027 0.0198 0.023
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0036 0.0036
Echinococcus granulosus FTZ F1 alpha 0.0057 0.0638 0.0638
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0057 0.0638 0.074
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0057 0.0638 0.074
Loa Loa (eye worm) hypothetical protein 0.0049 0.0516 0.0599
Schistosoma mansoni zinc finger protein 0.0027 0.0198 0.0198
Echinococcus multilocularis dual specificity 0.0091 0.1125 0.1125
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0027 0.0198 0.0198
Loa Loa (eye worm) hypothetical protein 0.0026 0.0177 0.0206
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0091 0.1125 1
Schistosoma mansoni acetyl-CoA synthetase 0.0014 0.001 0.001
Echinococcus granulosus nuclear receptor nhr 48 0.0027 0.0198 0.0198
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0014 0.001 0.0012
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0048 0.05 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.0638 0.074
Schistosoma mansoni thyroid hormone receptor 0.0057 0.0638 0.0638
Trypanosoma brucei heat shock protein 84, putative 0.0017 0.0055 0.0492
Onchocerca volvulus 0.0057 0.0638 0.3234
Leishmania major acetyl-CoA synthetase, putative 0.0014 0.001 0.0089
Loa Loa (eye worm) hypothetical protein 0.009 0.1118 0.1297
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0057 0.0638 0.0638
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0154 0.2049 0.2377
Loa Loa (eye worm) hypothetical protein 0.0027 0.0198 0.023
Loa Loa (eye worm) hypothetical protein 0.0027 0.0198 0.023
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0.0036 0.0169
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0154 0.2049 0.2377
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0027 0.0198 0.0198
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.003 0.0245 0.0285
Schistosoma mansoni microtubule-associated protein tau 0.0701 1 1
Brugia malayi AMP-binding enzyme family protein 0.0048 0.05 0.0581
Echinococcus granulosus Nuclear hormone receptor HR96 0.0027 0.0198 0.0198
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0177 0.083
Brugia malayi hypothetical protein 0.0026 0.0177 0.0206
Treponema pallidum exodeoxyribonuclease (exoA) 0.0038 0.0356 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.05 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0049 0.0516 0.0516
Schistosoma mansoni survival motor neuron protein 0.0049 0.0517 0.0517
Brugia malayi Nuclear hormone receptor-like 1 0.003 0.0245 0.0285
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0057 0.0638 0.074
Trichomonas vaginalis heat shock protein, putative 0.0017 0.0055 0.138
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0014 0.001 0.0089
Schistosoma mansoni hypothetical protein 0.0049 0.0516 0.0516
Loa Loa (eye worm) hypothetical protein 0.0027 0.0198 0.023
Loa Loa (eye worm) hypothetical protein 0.0036 0.0325 0.0377
Mycobacterium ulcerans hypothetical protein 0.0048 0.05 1
Schistosoma mansoni hypothetical protein 0.0049 0.0516 0.0516
Loa Loa (eye worm) hypothetical protein 0.0027 0.0198 0.023
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0057 0.0638 0.0638
Loa Loa (eye worm) hypothetical protein 0.0027 0.0198 0.023
Schistosoma mansoni steroid hormone receptor ad4bp 0.0057 0.0638 0.0638
Schistosoma mansoni hypothetical protein 0.0051 0.0542 0.0542
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0177 0.1578
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0057 0.0638 0.0638
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0057 0.0638 0.074
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0027 0.0198 0.0971
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0057 0.0638 0.074
Loa Loa (eye worm) hypothetical protein 0.0038 0.0359 0.0416
Plasmodium vivax heat shock protein 90, putative 0.0017 0.0055 0.0259
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0057 0.0638 0.0638
Schistosoma mansoni serine/threonine protein kinase 0.0091 0.1125 0.1125
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0017 0.0055 0.0492
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0.0036 0.0532
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0057 0.0638 0.0638
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0057 0.0638 0.0638
Toxoplasma gondii exonuclease III APE 0.0038 0.0356 0.1666
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0014 0.001 0.0089
Echinococcus multilocularis nuclear receptor nhr 48 0.0027 0.0198 0.0198
Loa Loa (eye worm) hypothetical protein 0.0014 0.001 0.0012
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0057 0.0638 0.074
Schistosoma mansoni thyroid hormone receptor 0.0057 0.0638 0.0638
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0044 0.0443 0.0514
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0057 0.0638 0.0638
Brugia malayi AMP-binding enzyme family protein 0.0048 0.05 0.0581
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0057 0.0638 0.074
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0044 0.0443 0.0514
Giardia lamblia Grp94/Hsp90 0.0017 0.0055 0.1553
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.003 0.0245 0.0245
Echinococcus multilocularis endoplasmin 0.0017 0.0055 0.0055
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0014 0.001 0.0047
Leishmania major hypothetical protein, conserved 0.0026 0.0177 0.1578
Brugia malayi hypothetical protein 0.0027 0.0198 0.023
Loa Loa (eye worm) oxidoreductase 0.0014 0.001 0.0012
Brugia malayi orphan nuclear receptor NR2E1 0.0027 0.0198 0.023
Loa Loa (eye worm) hypothetical protein 0.003 0.0245 0.0285
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0057 0.0638 0.074
Brugia malayi AMP-binding enzyme family protein 0.0014 0.001 0.0012
Brugia malayi nuclear hormone receptor 0.0027 0.0198 0.023
Loa Loa (eye worm) hypothetical protein 0.0057 0.0638 0.074
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0036 0.0169
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.0356 0.1666
Loa Loa (eye worm) hypothetical protein 0.0154 0.2049 0.2377
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0048 0.05 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.05 0.0581
Loa Loa (eye worm) hypothetical protein 0.0057 0.0638 0.074
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.003 0.0245 0.0245
Trichomonas vaginalis ap endonuclease, putative 0.0038 0.0356 0.8887
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0036 0.0325 0.6421
Brugia malayi Nuclear hormone receptor-like 1 0.003 0.0245 0.0285
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0036 0.0036
Onchocerca volvulus 0.0049 0.0517 0.261
Loa Loa (eye worm) cytochrome P450 family protein 0.0058 0.0648 0.0752
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0.0036 0.0169
Plasmodium vivax heat shock protein, putative 0.016 0.2139 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0198 0.023
Loa Loa (eye worm) hypothetical protein 0.0183 0.2462 0.2857
Echinococcus multilocularis survival motor neuron protein 1 0.024 0.3289 0.3289
Loa Loa (eye worm) hypothetical protein 0.0027 0.0198 0.023
Plasmodium vivax acyl-CoA synthetase, putative 0.0036 0.0325 0.1519
Echinococcus granulosus GPCR family 2 0.0049 0.0516 0.0516
Entamoeba histolytica acyl-coA synthetase, putative 0.0048 0.05 0.4449
Onchocerca volvulus 0.0027 0.0198 0.0971
Echinococcus granulosus Nuclear hormone receptor HR96 0.0027 0.0198 0.0198
Brugia malayi hypothetical protein 0.024 0.3289 0.3816
Echinococcus multilocularis GPCR, family 2 0.0049 0.0516 0.0516
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0038 0.0356 0.3169
Brugia malayi photoreceptor-specific nuclear receptor 0.0057 0.0638 0.074
Schistosoma mansoni heat shock protein 0.0017 0.0055 0.0055
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.05 0.4449
Schistosoma mansoni voltage-gated potassium channel 0.0048 0.0501 0.0501
Entamoeba histolytica hypothetical protein 0.0091 0.1125 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0057 0.0638 0.074
Loa Loa (eye worm) latrophilin receptor protein 2 0.0049 0.0516 0.0599
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0014 0.001 0.0089
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0036 0.0036
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0027 0.0198 0.023
Brugia malayi nuclear receptor NHR-88 0.0057 0.0638 0.074
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0091 0.1125 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0044 0.0443 0.0443
Brugia malayi Hsp90 protein 0.0017 0.0055 0.0064
Schistosoma mansoni ap endonuclease 0.0038 0.0356 0.0356
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0188 0.2537 0.2537
Schistosoma mansoni hypothetical protein 0.0049 0.0516 0.0516
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0038 0.0356 1
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0017 0.0055 0.0924
Onchocerca volvulus Bile acid receptor homolog 0.0057 0.0638 0.3234
Schistosoma mansoni jun-related protein 0.0153 0.2025 0.2025
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0057 0.0638 0.0638
Brugia malayi bZIP transcription factor family protein 0.0188 0.2537 0.2944
Trichomonas vaginalis heat shock protein, putative 0.0017 0.0055 0.138
Loa Loa (eye worm) hypothetical protein 0.0057 0.0638 0.074
Loa Loa (eye worm) hypothetical protein 0.0105 0.1339 0.1554
Brugia malayi hypothetical protein 0.0016 0.0046 0.0053
Schistosoma mansoni nuclear receptor 0.0027 0.0198 0.0198
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.0036 0.0321
Loa Loa (eye worm) steroid hormone receptor 0.0057 0.0638 0.074
Echinococcus granulosus survival motor neuron protein 1 0.024 0.3289 0.3289
Loa Loa (eye worm) hypothetical protein 0.0036 0.0325 0.0377
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0038 0.0356 0.7065
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0014 0.001 0.0089
Leishmania major heat shock protein, putative 0.0017 0.0055 0.0492
Schistosoma mansoni ap endonuclease 0.0038 0.0356 0.0356
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0057 0.0638 0.074
Brugia malayi steroid hormone receptor 0.0057 0.0638 0.074
Mycobacterium ulcerans heat shock protein 90 0.0017 0.0055 0.0924
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0177 0.083
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0038 0.0356 0.0356
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0036 0.0325 0.6421
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0038 0.0356 0.7065
Brugia malayi nuclear receptor NHR-67 0.0027 0.0198 0.023
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0036 0.0042
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0048 0.05 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0027 0.0198 0.0198
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0038 0.0356 0.3169
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0036 0.0321
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0057 0.0638 0.074
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0057 0.0638 0.0638
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0027 0.0198 0.0198
Loa Loa (eye worm) hypothetical protein 0.003 0.0245 0.0285
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0049 0.0516 0.0516
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0057 0.0638 0.0638
Brugia malayi AMP-binding enzyme family protein 0.0014 0.001 0.0012
Loa Loa (eye worm) hypothetical protein 0.0027 0.0198 0.023
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0038 0.0356 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.0638 0.074
Entamoeba histolytica 90 kDa heat shock protein, putative 0.0017 0.0055 0.0492
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0041 0.0401 1
Onchocerca volvulus 0.0147 0.1951 1
Plasmodium falciparum acyl-CoA synthetase 0.0036 0.0325 0.1519
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0057 0.0638 0.074
Brugia malayi nuclear hormone receptor 0.0057 0.0638 0.074
Schistosoma mansoni coup transcription factor 0.0057 0.0638 0.0638
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0048 0.05 1
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0014 0.001 0.0012
Brugia malayi tailless protein 0.0027 0.0198 0.023
Trichomonas vaginalis antibiotic synthetase, putative 0.0014 0.001 0.025
Echinococcus multilocularis thyroid hormone receptor alpha 0.0057 0.0638 0.0638
Brugia malayi conserved hypotetical protein 0.0027 0.0198 0.023
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0057 0.0638 0.0638
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0297 0.5844
Brugia malayi Cytochrome P450 family protein 0.0058 0.0648 0.0752
Loa Loa (eye worm) hypothetical protein 0.0036 0.0325 0.0377
Loa Loa (eye worm) hypothetical protein 0.003 0.0245 0.0285
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0057 0.0638 0.074
Brugia malayi nuclear receptor RXR 0.003 0.0245 0.0285
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0048 0.05 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.05 0.4449
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0038 0.0356 0.0356
Echinococcus granulosus ecdysone induced protein 78C 0.0057 0.0638 0.0638
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0014 0.001 0.0012
Loa Loa (eye worm) hypothetical protein 0.0048 0.05 0.0581

Activities

Activity type Activity value Assay description Source Reference
Protection (functional) = 0 % Percent protection against histamine-induced bronchoconstriction in conscious guinea pig. ChEMBL. 6796685
Relative potency (functional) = 60 Relative potency of compound versus PGE-2 (0.3-3.0mg/mL, iv)for induction of diarrhoea in conscious mice ChEMBL. 6796685
Relative potency (functional) = 1.2 Relative spasmogenic potency in an in vitro guinea pig uteri assay. ChEMBL. 6796685
Relative potency (functional) = 60 Relative potency of compound versus PGE-2 (0.3-3.0mg/mL, iv)for induction of diarrhoea in conscious mice ChEMBL. 6796685
Relative potency (functional) = 80 Relative potency (50 ug/kg) for inhibition of pentagastrin-stimulated gastric acid secretion in anesthetized rats ChEMBL. 6796685
Relative potency (functional) < 100 Relative ability to cause abortion in conscious guinea pigs compared to PGE-2. ChEMBL. 6796685
Relative threshold dose (functional) = 10 Compound versus PGE-2 (0.1 ug/kg ,iv) was tested for effects on blood pressure in anesthetized dogs; Pressor ChEMBL. 6796685

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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