Detailed information for compound 100167

Basic information

Technical information
  • TDR Targets ID: 100167
  • Name: N-ethyl-2-sulfanylidene-1H-pyridine-3-carboth ioamide
  • MW: 198.308 | Formula: C8H10N2S2
  • H donors: 0 H acceptors: 1 LogP: 1.85 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC/N=C(/c1cccnc1S)\S
  • InChi: 1S/C8H10N2S2/c1-2-9-7(11)6-4-3-5-10-8(6)12/h3-5H,2H2,1H3,(H,9,11)(H,10,12)
  • InChiKey: AFSRQARECLQPEX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-ethyl-2-thioxo-1H-pyridine-3-carbothioamide
  • AIDS-096832
  • AIDS096832
  • N-Ethyl-1,2-dihydro-2-thioxo-3-pyridinecarbothio-amide

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
Schistosoma mansoni nuclear receptor 0.0028 0.043 0.1034
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.006 0.1771 0.1771
Loa Loa (eye worm) hypothetical protein 0.0028 0.043 0.043
Echinococcus granulosus histone lysine methyltransferase setb 0.002 0.0062 0.0062
Loa Loa (eye worm) hypothetical protein 0.006 0.1771 0.1771
Brugia malayi nuclear receptor RXR 0.0032 0.0574 0.0574
Loa Loa (eye worm) DR-78 0.0028 0.043 0.043
Echinococcus granulosus lipoxygenase domain containing protein 0.0042 0.0993 0.0993
Brugia malayi Nuclear hormone receptor family member nhr-40 0.006 0.1771 0.1771
Echinococcus multilocularis tar DNA binding protein 0.0068 0.2117 0.2117
Mycobacterium leprae conserved hypothetical protein 0.0039 0.0872 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.006 0.1771 0.1771
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.006 0.1771 0.2591
Loa Loa (eye worm) hypothetical protein 0.0039 0.0872 0.0872
Brugia malayi Nuclear hormone receptor family member nhr-19 0.006 0.1771 0.1771
Loa Loa (eye worm) hypothetical protein 0.0042 0.0993 0.0993
Loa Loa (eye worm) hypothetical protein 0.0151 0.5605 0.5605
Loa Loa (eye worm) hypothetical protein 0.0039 0.0872 0.0872
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.006 0.1771 0.1771
Loa Loa (eye worm) hypothetical protein 0.0081 0.2672 0.2672
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0028 0.043 0.043
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0806 0.1937
Schistosoma mansoni methyl-cpg binding protein mbd 0.002 0.0062 0.015
Loa Loa (eye worm) doublecortin family protein 0.0042 0.0993 0.0993
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.006 0.1771 0.1771
Brugia malayi tailless protein 0.0028 0.043 0.043
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.1461 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.006 0.1771 0.4257
Brugia malayi Nuclear hormone receptor family member nhr-19 0.006 0.1771 0.1771
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.0872 0.0872
Loa Loa (eye worm) hypothetical protein 0.0028 0.043 0.043
Onchocerca volvulus 0.0039 0.0872 0.0855
Brugia malayi orphan nuclear receptor NR2E1 0.0028 0.043 0.043
Echinococcus multilocularis FTZ F1 alpha 0.006 0.1771 0.1771
Schistosoma mansoni zinc finger protein 0.0028 0.043 0.1034
Schistosoma mansoni retinoid-x-receptor (RXR) 0.006 0.1771 0.4257
Brugia malayi nuclear receptor NHR-88 0.006 0.1771 0.1771
Schistosoma mansoni voltage-gated potassium channel 0.0042 0.0994 0.2389
Schistosoma mansoni tar DNA-binding protein 0.0068 0.2117 0.509
Brugia malayi nuclear hormone receptor 0.006 0.1771 0.1771
Loa Loa (eye worm) hypothetical protein 0.0028 0.043 0.043
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.1316 0.3163
Loa Loa (eye worm) hypothetical protein 0.0032 0.0574 0.0574
Mycobacterium ulcerans beta-lactamase 0.0039 0.0872 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.006 0.1771 0.1771
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.1461 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.043 0.043
Brugia malayi Steroid receptor seven-up type 2 0.006 0.1771 0.1771
Brugia malayi steroid hormone receptor 0.006 0.1771 0.1771
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.1316 0.3163
Echinococcus multilocularis Polycystic kidney disease protein 0.0042 0.0993 0.0993
Echinococcus granulosus Nuclear hormone receptor HR96 0.0028 0.043 0.043
Echinococcus granulosus nuclear receptor nhr 48 0.0028 0.043 0.043
Loa Loa (eye worm) hypothetical protein 0.0028 0.043 0.043
Brugia malayi nuclear receptor NHR-88 0.0028 0.043 0.043
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0028 0.043 0.043
Loa Loa (eye worm) hypothetical protein 0.0047 0.1214 0.1214
Brugia malayi nuclear hormone receptor family member nhr-6 0.0028 0.043 0.043
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0038 0.0846 0.0846
Brugia malayi follicle stimulating hormone receptor 0.0242 0.9441 0.9441
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.1657 0.1657
Schistosoma mansoni thyroid hormone receptor 0.006 0.1771 0.4257
Schistosoma mansoni nuclear receptor 0.0028 0.043 0.1034
Brugia malayi hypothetical protein 0.0151 0.5605 0.5605
Onchocerca volvulus Protein ultraspiracle homolog 0.006 0.1771 0.2591
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0806 0.0806
Loa Loa (eye worm) TAR-binding protein 0.0068 0.2117 0.2117
Echinococcus granulosus nuclear receptor 2DBD gamma 0.006 0.1771 0.1771
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0069 0.2136 0.2136
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0028 0.043 0.043
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.002 0.0062 0.015
Brugia malayi beta-lactamase family protein 0.0039 0.0872 0.0872
Schistosoma mansoni Tr4/Tr2 (homologue) 0.006 0.1771 0.4257
Loa Loa (eye worm) hypothetical protein 0.0028 0.043 0.043
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0041 0.098 0.098
Brugia malayi ecdysteroid receptor 0.006 0.1771 0.1771
Loa Loa (eye worm) hypothetical protein 0.0028 0.043 0.043
Brugia malayi Nuclear hormone receptor-like 1 0.0032 0.0574 0.0574
Echinococcus granulosus zinc finger protein 0.0023 0.0185 0.0185
Echinococcus granulosus thyroid hormone receptor alpha 0.0028 0.043 0.043
Brugia malayi nuclear hormone receptor family member odr-7 0.0028 0.043 0.043
Echinococcus granulosus FTZ F1 alpha 0.006 0.1771 0.1771
Schistosoma mansoni coup transcription factor 0.006 0.1771 0.4257
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.006 0.1771 0.1771
Brugia malayi Nuclear hormone receptor family member nhr-49 0.006 0.1771 0.1771
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.006 0.1771 0.1771
Brugia malayi Nuclear hormone receptor family member nhr-31 0.006 0.1771 0.1771
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0028 0.043 0.043
Brugia malayi Nuclear hormone receptor family member nhr-14 0.006 0.1771 0.1771
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.0872 0.0872
Loa Loa (eye worm) hypothetical protein 0.0028 0.043 0.043
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.1316 0.1316
Brugia malayi TAR-binding protein 0.0068 0.2117 0.2117
Onchocerca volvulus 0.0039 0.0872 0.0855
Onchocerca volvulus 0.006 0.1771 0.2591
Loa Loa (eye worm) hypothetical protein 0.0032 0.0574 0.0574
Echinococcus granulosus fetal alzheimer antigen falz 0.0026 0.0329 0.0329
Loa Loa (eye worm) hypothetical protein 0.0039 0.0872 0.0872
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.006 0.1771 0.1771
Plasmodium vivax multidomain scavenger receptor, putative 0.0042 0.0993 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.1316 0.1316
Schistosoma mansoni RAR-like nuclear receptor 0.006 0.1771 0.4257
Schistosoma mansoni nuclear hormone receptor 0.006 0.1771 0.4257
Loa Loa (eye worm) PHD-finger family protein 0.0024 0.0236 0.0236
Loa Loa (eye worm) bromodomain containing protein 0.002 0.0092 0.0092
Brugia malayi MAP kinase sur-1 0.0053 0.1461 0.1461
Loa Loa (eye worm) hypothetical protein 0.0032 0.0574 0.0574
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.1461 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.006 0.1771 0.1771
Brugia malayi Bromodomain containing protein 0.0086 0.288 0.288
Brugia malayi nuclear hormone receptor 0.0028 0.043 0.043
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0032 0.0574 0.1379
Echinococcus granulosus methyl CpG binding domain protein 2 0.002 0.0062 0.0062
Schistosoma mansoni nuclear hormone receptor 0.0028 0.043 0.1034
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0068 0.2117 0.2117
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0872 0.1844
Schistosoma mansoni hypothetical protein 0.0052 0.1429 0.3435
Mycobacterium ulcerans lipase LipD 0.0039 0.0872 0.5
Loa Loa (eye worm) hypothetical protein 0.0044 0.1099 0.1099
Schistosoma mansoni hypothetical protein 0.0024 0.0236 0.0568
Brugia malayi Nuclear hormone receptor E75 0.0028 0.043 0.043
Brugia malayi hypothetical protein 0.0032 0.0574 0.0574
Schistosoma mansoni hypothetical protein 0.0039 0.089 0.2139
Onchocerca volvulus Bile acid receptor homolog 0.006 0.1771 0.2591
Schistosoma mansoni lipoxygenase 0.0042 0.0993 0.2386
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.006 0.1771 0.1771
Loa Loa (eye worm) nuclear hormone receptor 0.0028 0.043 0.043
Schistosoma mansoni nuclear hormone receptor 0.0028 0.043 0.1034
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.006 0.1771 0.1771
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.002 0.0062 0.0062
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0032 0.0574 0.1379
Schistosoma mansoni zinc finger protein 0.0023 0.0185 0.0444
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.1316 0.1316
Echinococcus multilocularis survival motor neuron protein 1 0.0255 1 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.043 0.043
Brugia malayi Nuclear hormone receptor E75 0.0028 0.043 0.043
Schistosoma mansoni methyl-cpg binding protein mbd 0.002 0.0062 0.015
Brugia malayi hypothetical protein 0.0032 0.0574 0.0574
Echinococcus granulosus mitogen activated protein kinase 0.0053 0.1461 0.1461
Loa Loa (eye worm) hypothetical protein 0.0039 0.0872 0.0872
Brugia malayi PHD-finger family protein 0.0029 0.0444 0.0444
Onchocerca volvulus 0.0042 0.0993 0.1087
Schistosoma mansoni tar DNA-binding protein 0.0068 0.2117 0.509
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.1657 0.1657
Loa Loa (eye worm) hypothetical protein 0.0028 0.043 0.043
Brugia malayi Nuclear hormone receptor family member nhr-25 0.006 0.1771 0.1771
Echinococcus granulosus lipoxygenase domain containing protein 0.0042 0.0993 0.0993
Mycobacterium ulcerans esterase/lipase LipP 0.0039 0.0872 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.006 0.1771 0.1771
Brugia malayi nuclear receptor RXR 0.0028 0.043 0.043
Echinococcus granulosus tar DNA binding protein 0.0068 0.2117 0.2117
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0026 0.0329 0.0329
Loa Loa (eye worm) hypothetical protein 0.0039 0.0872 0.0872
Loa Loa (eye worm) hypothetical protein 0.006 0.1771 0.1771
Echinococcus multilocularis lipoxygenase domain containing protein 0.0042 0.0993 0.0993
Trypanosoma brucei protein kinase, putative 0.0053 0.1461 1
Mycobacterium ulcerans hypothetical protein 0.0039 0.0872 0.5
Loa Loa (eye worm) hypothetical protein 0.0032 0.0574 0.0574
Loa Loa (eye worm) hypothetical protein 0.006 0.1771 0.1771
Entamoeba histolytica hypothetical protein 0.0037 0.0806 0.5
Echinococcus granulosus RUN 0.0042 0.0993 0.0993
Loa Loa (eye worm) hypothetical protein 0.006 0.1771 0.1771
Loa Loa (eye worm) hypothetical protein 0.0028 0.043 0.043
Echinococcus multilocularis lipoxygenase domain containing protein 0.0042 0.0993 0.0993
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0872 0.1844
Loa Loa (eye worm) hypothetical protein 0.006 0.1771 0.1771
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.006 0.1771 0.4257
Echinococcus granulosus Polycystic kidney disease protein 0.0042 0.0993 0.0993
Schistosoma mansoni lipoxygenase 0.0117 0.416 1
Schistosoma mansoni loxhd1 0.0042 0.0993 0.2386
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.0872 0.0872
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.006 0.1771 0.1771
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.1316 0.1316
Echinococcus multilocularis mitogen activated protein kinase 3 0.0053 0.1461 0.1461
Echinococcus multilocularis zinc finger protein 0.0023 0.0185 0.0185
Loa Loa (eye worm) hypothetical protein 0.006 0.1771 0.1771
Echinococcus multilocularis methyl CpG binding domain protein 2 0.002 0.0062 0.0062
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.089 0.089
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0032 0.0574 0.0574
Schistosoma mansoni polycystin 1-related 0.0042 0.0993 0.2386
Brugia malayi beta-lactamase family protein 0.0039 0.0872 0.0872
Brugia malayi hypothetical protein 0.0042 0.0993 0.0993
Brugia malayi Nuclear hormone receptor family member nhr-25 0.006 0.1771 0.1771
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0248 0.9707 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0028 0.043 0.1034
Loa Loa (eye worm) hypothetical protein 0.0028 0.043 0.043
Brugia malayi hypothetical protein 0.0028 0.043 0.043
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0039 0.0872 0.5
Loa Loa (eye worm) hypothetical protein 0.0049 0.1307 0.1307
Loa Loa (eye worm) nuclear receptor NHR-67 0.0028 0.043 0.043
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0026 0.0329 0.0791
Echinococcus granulosus nuclear receptor 2DBD gamma 0.006 0.1771 0.1771
Schistosoma mansoni tar DNA-binding protein 0.0068 0.2117 0.509
Giardia lamblia Kinase, CMGC MAPK 0.0053 0.1461 0.5
Loa Loa (eye worm) hypothetical protein 0.0057 0.1657 0.1657
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.006 0.1771 0.1771
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.006 0.1771 0.1771
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.1461 0.3511
Brugia malayi Nuclear hormone receptor family member nhr-41 0.006 0.1771 0.1771
Entamoeba histolytica hypothetical protein 0.0037 0.0806 0.5
Entamoeba histolytica hypothetical protein 0.0037 0.0806 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.1771 0.1771
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.006 0.1771 0.1771
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0028 0.043 0.043
Schistosoma mansoni rab6-interacting 0.0042 0.0993 0.2386
Loa Loa (eye worm) hypothetical protein 0.0039 0.0872 0.0872
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0053 0.1461 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.1316 0.3163
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0053 0.1461 1
Echinococcus multilocularis ecdysone induced protein 78C 0.006 0.1771 0.1771
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0032 0.0574 0.0574
Schistosoma mansoni hypothetical protein 0.0037 0.0806 0.1937
Brugia malayi RNA binding protein 0.0068 0.2117 0.2117
Brugia malayi ecdysone receptor 0.0028 0.043 0.043
Brugia malayi nuclear receptor NHR-67 0.0028 0.043 0.043
Schistosoma mansoni survival motor neuron protein 0.0052 0.1429 0.3435
Schistosoma mansoni steroid hormone receptor ad4bp 0.006 0.1771 0.4257
Schistosoma mansoni retinoic acid receptor RXR 0.006 0.1771 0.4257
Loa Loa (eye worm) RNA binding protein 0.0068 0.2117 0.2117
Brugia malayi Nuclear hormone receptor family member nhr-3 0.006 0.1771 0.1771
Schistosoma mansoni hypothetical protein 0.0042 0.0993 0.2386
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0053 0.1461 0.1461
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0028 0.043 0.043
Loa Loa (eye worm) hypothetical protein 0.0042 0.0993 0.0993
Brugia malayi Doublecortin family protein 0.0042 0.0993 0.0993
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0053 0.1461 1
Mycobacterium leprae Probable lipase LipE 0.0039 0.0872 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.006 0.1771 0.1771
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.1316 0.1316
Schistosoma mansoni tar DNA-binding protein 0.0068 0.2117 0.509
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.1657 0.1657
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0069 0.2136 0.2136
Brugia malayi photoreceptor-specific nuclear receptor 0.006 0.1771 0.1771
Onchocerca volvulus 0.0039 0.0872 0.0855
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0038 0.0846 0.0846
Loa Loa (eye worm) hypothetical protein 0.0033 0.0633 0.0633
Entamoeba histolytica hypothetical protein 0.0037 0.0806 0.5
Brugia malayi conserved hypotetical protein 0.0028 0.043 0.043
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0117 0.416 0.416
Plasmodium falciparum LCCL domain-containing protein 0.0042 0.0993 0.5
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.0872 0.0872
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.1461 1
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.1461 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0053 0.1461 0.1461
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0053 0.1461 1
Schistosoma mansoni nuclear receptor nhr-48 0.0028 0.043 0.1034
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0028 0.043 0.043
Onchocerca volvulus 0.0042 0.0993 0.1087
Schistosoma mansoni rab6-interacting 0.0042 0.0993 0.2386
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.006 0.1771 0.4257
Brugia malayi hypothetical protein 0.0028 0.043 0.043
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0028 0.043 0.043
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0872 0.1844
Brugia malayi hypothetical protein 0.0042 0.0993 0.0993
Brugia malayi Nuclear hormone receptor family member nhr-1 0.006 0.1771 0.1771
Echinococcus multilocularis thyroid hormone receptor alpha 0.006 0.1771 0.1771
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0028 0.043 0.043
Echinococcus multilocularis nuclear receptor nhr 48 0.0028 0.043 0.043
Brugia malayi beta-lactamase 0.0039 0.0872 0.0872
Echinococcus multilocularis RUN 0.0042 0.0993 0.0993
Loa Loa (eye worm) hypothetical protein 0.0028 0.043 0.043
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.006 0.1771 0.1771
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.002 0.0062 0.015
Loa Loa (eye worm) hypothetical protein 0.006 0.1771 0.1771
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0032 0.0574 0.0574
Brugia malayi Nuclear hormone receptor-like 1 0.0032 0.0574 0.0574
Trichomonas vaginalis esterase, putative 0.0039 0.0872 0.1844
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0041 0.098 0.098
Echinococcus multilocularis mitogen activated protein kinase 0.0053 0.1461 0.1461
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0872 0.2097
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0242 0.9441 0.9441
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0053 0.1461 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.006 0.1771 0.4257
Loa Loa (eye worm) hypothetical protein 0.002 0.0062 0.0062
Onchocerca volvulus 0.0052 0.1429 0.193
Schistosoma mansoni thyroid hormone receptor 0.006 0.1771 0.4257
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.006 0.1771 0.1771
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0028 0.043 0.1034
Schistosoma mansoni bromodomain containing protein 0.0073 0.231 0.5553
Onchocerca volvulus 0.0151 0.5605 1
Loa Loa (eye worm) hypothetical protein 0.0255 1 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.1461 1
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0872 0.1844
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.006 0.1771 0.1771
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0052 0.1429 0.1429
Loa Loa (eye worm) hypothetical protein 0.0039 0.089 0.089
Brugia malayi Nuclear hormone receptor-like 1 0.006 0.1771 0.1771
Loa Loa (eye worm) steroid hormone receptor 0.006 0.1771 0.1771
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.1316 0.1316
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0038 0.0846 0.0846
Brugia malayi hypothetical protein 0.0037 0.0806 0.0806
Brugia malayi Bromodomain containing protein 0.0044 0.1095 0.1095
Loa Loa (eye worm) hypothetical protein 0.0032 0.0574 0.0574
Loa Loa (eye worm) beta-lactamase 0.0039 0.0872 0.0872
Echinococcus granulosus Nuclear hormone receptor HR96 0.0028 0.043 0.043
Brugia malayi RNA recognition motif domain containing protein 0.0068 0.2117 0.2117
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.006 0.1771 0.1771
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0053 0.1461 1
Echinococcus granulosus survival motor neuron protein 1 0.0255 1 1
Schistosoma mansoni tar DNA-binding protein 0.0068 0.2117 0.509
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0872 0.1844
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0117 0.416 0.416
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0872 0.2097
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0806 0.0806
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0038 0.0846 0.0846
Schistosoma mansoni voltage-gated potassium channel 0.0042 0.0994 0.2389

Activities

Activity type Activity value Assay description Source Reference
AUC (ADMET) = 15.8 mg hr l-1 Area under the curve (Concentration) was determined for the compound as AUC with limits 0-8 after i.v. administration in rats ChEMBL. 12182855
AUC (ADMET) = 1110 mg min l-1 Area under curve (AUC) value of the compound ChEMBL. 10649975
CI (ADMET) = 0.02 l min-1 Clearance (CL) value in rats after intravenous administration. ChEMBL. 10649975
Cl (ADMET) = 1.2 l hr-1 kg-1 Clearance rate of the compound was determined after i.v. administration in rats ChEMBL. 12182855
cLogP (ADMET) = 1.92 hydrophobicity of the compound. ChEMBL. 10649975
MIC (functional) = 0.5 ug ml-1 In Vitro antimicrobial activity against the Mycobacterium tuberculosis (MT) strain H-37-Rv ATCC ChEMBL. 10649975
MIC (functional) = 0.5 ug ml-1 In vitro antibacterial activity of the compound against Mycobacterium tuberculosis MT ATCC H37Rv strain ChEMBL. 12182855
MIC (functional) = 0.5 ug ml-1 In Vitro antimicrobial activity against the Mycobacterium tuberculosis (MT) strain H-37-Rv ATCC ChEMBL. 10649975
MIC (functional) = 0.5 ug ml-1 In vitro antibacterial activity of the compound against Mycobacterium tuberculosis MT ATCC H37Rv strain ChEMBL. 12182855
MIC (functional) = 1 ug ml-1 In Vitro antimicrobial activity against the Mycobacterium tuberculosis (MT) Wild type strain MT-1 ChEMBL. 10649975
MIC (functional) = 1 ug ml-1 In Vitro antimicrobial activity against the Mycobacterium tuberculosis (MT) Wild type strain MT-2 ChEMBL. 10649975
MIC (functional) = 1 ug ml-1 In vitro antibacterial activity of the compound against Mycobacterium tuberculosis MT-1 (wild type strain) isolated from infected patients. ChEMBL. 12182855
MIC (functional) = 1 ug ml-1 In vitro antibacterial activity of the compound against Mycobacterium tuberculosis MT-2 (wild type strain) isolated from infected patients. ChEMBL. 12182855
MIC (functional) = 1 ug ml-1 In Vitro antimicrobial activity against the Mycobacterium tuberculosis (MT) Wild type strain MT-1 ChEMBL. 10649975
MIC (functional) = 1 ug ml-1 In Vitro antimicrobial activity against the Mycobacterium tuberculosis (MT) Wild type strain MT-2 ChEMBL. 10649975
MIC (functional) = 1 ug ml-1 In vitro antibacterial activity of the compound against Mycobacterium tuberculosis MT-1 (wild type strain) isolated from infected patients. ChEMBL. 12182855
MIC (functional) = 1 ug ml-1 In vitro antibacterial activity of the compound against Mycobacterium tuberculosis MT-2 (wild type strain) isolated from infected patients. ChEMBL. 12182855
MIC (functional) = 4 ug ml-1 In Vitro antimicrobial activity against the Mycobacterium avium complex (MAC) strain ATCC 15769 ChEMBL. 10649975
MIC (functional) = 4 ug ml-1 In Vitro antimicrobial activity against the Mycobacterium avium complex (MAC) Wild type strain ISS 486 ChEMBL. 10649975
MIC (functional) = 4 ug ml-1 In Vitro antimicrobial activity against the Mycobacterium avium complex (MAC) Wild type strain AN1 ChEMBL. 10649975
MIC (functional) = 4 ug ml-1 In vitro antibacterial activity of compound against Mycobacterium avium MAC ATCC 15769 ChEMBL. 12182855
MIC (functional) = 4 ug ml-1 In vitro antibacterial activity of compound against Mycobacterium avium MAC ISS-486 (wild type strain) isolated from infected patients. ChEMBL. 12182855
MIC (functional) = 4 ug ml-1 In vitro antibacterial activity of compound against Mycobacterium avium MAC ANI (wild type strain) isolated from infected patients. ChEMBL. 12182855
MIC (functional) = 8 ug ml-1 In Vitro antimicrobial activity against the Mycobacterium avium complex (MAC) Wild type strain AN2 ChEMBL. 10649975
MIC (functional) = 8 ug ml-1 In Vitro antimicrobial activity against the Mycobacterium avium complex (MAC) Wild type strain AN3 ChEMBL. 10649975
MIC (functional) = 8 ug ml-1 In vitro antibacterial activity of compound against Mycobacterium avium MAC AN2 wild type strain) isolated from infected patients. ChEMBL. 12182855
MIC (functional) = 8 ug ml-1 In vitro antibacterial activity of compound against Mycobacterium avium MAC AN3 (wild type strain) isolated from infected patients. ChEMBL. 12182855
MRT (ADMET) = 0.79 hr Mean residence time (Pharmacokinetic property) of the compound was determined after i.v. administration in rats ChEMBL. 12182855
MRT (ADMET) = 47.65 min Mean residence time (MRT) in rats after intravenous adminisssstration. ChEMBL. 10649975
T1/2 (ADMET) = 0.62 hr Elimination half life of the compound was determined after i.v. administration of compound in rats ChEMBL. 12182855
T1/2 (ADMET) = 37.18 min Elimination half life value after intravenous administration in rats ChEMBL. 10649975
Vss (ADMET) = 0.93 l Volume of distribution in rats after intravenous administration ChEMBL. 10649975
Vss (ADMET) = 0.93 l kg-1 Volume of steady state distribution of the compound was determined after i.v. administration in rats ChEMBL. 12182855

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

2 literature references were collected for this gene.

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