Detailed information for compound 1026854

Basic information

Technical information
  • TDR Targets ID: 1026854
  • Name: 1-methyl-4-(selenocyanatomethyl)benzene
  • MW: 210.134 | Formula: C9H9NSe
  • H donors: 0 H acceptors: 1 LogP: 2.5 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#C[Se]Cc1ccc(cc1)C
  • InChi: 1S/C9H9NSe/c1-8-2-4-9(5-3-8)6-11-7-10/h2-5H,6H2,1H3
  • InChiKey: JEOPZWKHKSRPQS-UHFFFAOYSA-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
Echinococcus granulosus alpha tubulin 0.0064 0.1302 0.1302
Echinococcus granulosus tubulin alpha chain 0.0064 0.1302 0.1302
Schistosoma mansoni hypothetical protein 0.0041 0.0596 0.0596
Echinococcus multilocularis Tubulin alpha 1 chain 0.0064 0.1302 0.1302
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0044 0.0708 0.0708
Echinococcus granulosus pyruvate kinase 0.0036 0.045 0.045
Entamoeba histolytica hypothetical protein 0.0041 0.0596 0.0942
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0102 0.2449 0.2449
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0191 0.5149 1
Echinococcus granulosus tubulin alpha chain 0.0064 0.1302 0.1302
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0044 0.0708 0.1375
Trypanosoma brucei tubulin delta chain 0.0028 0.0208 0.0402
Echinococcus multilocularis beta tubulin 0.0064 0.1302 0.1302
Loa Loa (eye worm) jmjC domain-containing protein 0.0107 0.2612 0.5073
Echinococcus granulosus beta tubulin 0.0064 0.1302 0.1302
Toxoplasma gondii alpha-tubulin I, putative 0.0064 0.1302 1
Echinococcus multilocularis tubulin alpha 0.0064 0.1302 0.1302
Echinococcus multilocularis thyroid hormone receptor alpha 0.0044 0.0708 0.0708
Echinococcus multilocularis tubulin subunit TubB 0.0064 0.1302 0.1302
Schistosoma mansoni tubulin subunit beta 0.0064 0.1302 0.1302
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0076 0.1657 0.3218
Echinococcus granulosus expressed protein 0.0035 0.0425 0.0425
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0044 0.0708 0.1375
Trypanosoma brucei alpha tubulin, putative 0.0036 0.0462 0.2088
Loa Loa (eye worm) pyruvate kinase 0.0036 0.045 0.0874
Brugia malayi beta-tubulin, identical 0.0064 0.1302 0.2528
Echinococcus multilocularis Tubulin alpha 1 chain 0.0064 0.1302 0.1302
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0044 0.0708 0.1375
Trypanosoma brucei alpha tubulin 0.0064 0.1302 0.7648
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0044 0.0708 0.1375
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0076 0.1657 1
Echinococcus granulosus tubulin alpha chain 0.0064 0.1302 0.1302
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0044 0.0708 0.0708
Brugia malayi Tubulin alpha chain 0.0028 0.0208 0.0403
Schistosoma mansoni tubulin subunit gamma 0.0064 0.1302 0.1302
Brugia malayi Tubulin alpha chain 0.0064 0.1302 0.2528
Schistosoma mansoni phd/f-box containing protein 0.0029 0.0233 0.0233
Echinococcus granulosus Tubulin alpha 1 chain 0.0064 0.1302 0.1302
Trichomonas vaginalis tubulin, putative 0.0064 0.1302 0.2215
Trypanosoma brucei protein kinase, putative 0.0055 0.1021 0.5788
Echinococcus granulosus Tubulin beta 2C chain 0.0064 0.1302 0.1302
Brugia malayi Steroid receptor seven-up type 2 0.0044 0.0708 0.1375
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0055 0.1021 0.5788
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0044 0.0708 0.1375
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0028 0.0208 0.0525
Echinococcus multilocularis tubulin alpha chain 0.0064 0.1302 0.1302
Brugia malayi tubulin alpha chain - mouse 0.0064 0.1302 0.2528
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0044 0.0708 0.0708
Trichomonas vaginalis tubulin gamma chain, putative 0.0064 0.1302 0.2215
Loa Loa (eye worm) hypothetical protein 0.0023 0.0076 0.0147
Leishmania major beta tubulin 0.0064 0.1302 0.7648
Plasmodium falciparum tubulin epsilon chain, putative 0.0064 0.1302 1
Trypanosoma cruzi alpha tubulin, putative 0.0064 0.1302 0.7648
Loa Loa (eye worm) hypothetical protein 0.0036 0.0462 0.0897
Schistosoma mansoni coup transcription factor 0.0044 0.0708 0.0708
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0044 0.0708 0.0708
Echinococcus granulosus PHD finger protein rhinoceros 0.0033 0.0363 0.0363
Echinococcus multilocularis Tubulin beta 2C chain 0.0064 0.1302 0.1302
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.1021 0.1646
Echinococcus multilocularis tubulin alpha chain 0.0064 0.1302 0.1302
Brugia malayi steroid hormone receptor 0.0044 0.0708 0.1375
Loa Loa (eye worm) hypothetical protein 0.0029 0.0233 0.0452
Leishmania major beta tubulin 0.0064 0.1302 0.7648
Trichomonas vaginalis tubulin beta chain, putative 0.0064 0.1302 0.2215
Brugia malayi nuclear receptor NHR-88 0.0044 0.0708 0.1375
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0055 0.1021 0.5788
Trypanosoma brucei beta tubulin 0.0064 0.1302 0.7648
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0059 0.115 0.1907
Plasmodium falciparum JmjC domain-containing protein, putative 0.0029 0.0233 0.0745
Echinococcus multilocularis tubulin epsilon chain 0.0064 0.1302 0.1302
Trypanosoma cruzi zeta tubulin, putative 0.0028 0.0208 0.0402
Schistosoma mansoni rotamase 0.0035 0.0425 0.0425
Trypanosoma brucei epsilon tubulin 0.0064 0.1302 0.7648
Leishmania major alpha tubulin 0.0064 0.1302 0.7648
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0029 0.0233 0.057
Giardia lamblia Kinase, CMGC MAPK 0.0055 0.1021 0.1646
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.0596 0.0596
Brugia malayi jmjC domain containing protein 0.0029 0.0233 0.0452
Loa Loa (eye worm) PHD-finger family protein 0.0033 0.0363 0.0705
Schistosoma mansoni jumonji domain containing protein 0.0029 0.0233 0.0233
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0102 0.2449 0.2449
Trypanosoma cruzi pyruvate kinase 2, putative 0.0036 0.045 0.2008
Trichomonas vaginalis tubulin alpha chain, putative 0.0064 0.1302 0.2215
Trichomonas vaginalis tubulin beta chain, putative 0.0064 0.1302 0.2215
Leishmania major alpha tubulin 0.0064 0.1302 0.7648
Trypanosoma brucei zeta tubulin, putative 0.0028 0.0208 0.0402
Trichomonas vaginalis rotamase, putative 0.0035 0.0425 0.044
Leishmania major beta tubulin 0.0064 0.1302 0.7648
Schistosoma mansoni tubulin subunit delta 0.0028 0.0208 0.0208
Trypanosoma brucei tubulin gamma chain 0.0064 0.1302 0.7648
Echinococcus multilocularis transcription factor Dp 1 0.0044 0.0693 0.0693
Echinococcus multilocularis tubulin alpha 1C chain 0.0064 0.1302 0.1302
Echinococcus multilocularis expressed protein 0.0035 0.0425 0.0425
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.1021 0.1646
Schistosoma mansoni serine/threonine protein kinase 0.0055 0.1021 0.1021
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0191 0.5149 1
Schistosoma mansoni protein phosphatase 2C 0.0029 0.0233 0.0233
Schistosoma mansoni alpha tubulin 0.0064 0.1302 0.1302
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0044 0.0708 0.1375
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0064 0.1302 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0363 0.0705
Brugia malayi nuclear hormone receptor 0.0044 0.0708 0.1375
Trypanosoma cruzi hypothetical protein, conserved 0.0059 0.115 0.6642
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0191 0.5149 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0044 0.0708 0.1375
Giardia lamblia Beta tubulin 0.0064 0.1302 0.2215
Brugia malayi Nuclear hormone receptor-like 1 0.0023 0.0076 0.0147
Plasmodium vivax tubulin alpha chain, putative 0.0064 0.1302 1
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0029 0.0233 0.057
Chlamydia trachomatis pyruvate kinase 0.0036 0.045 0.5
Onchocerca volvulus Pyruvate kinase homolog 0.0036 0.045 0.0874
Brugia malayi Tubulin beta chain 0.0036 0.0462 0.0897
Schistosoma mansoni thyroid hormone receptor 0.0044 0.0708 0.0708
Trichomonas vaginalis pyruvate kinase, putative 0.0036 0.045 0.0491
Echinococcus granulosus tubulin alpha 1C chain 0.0064 0.1302 0.1302
Toxoplasma gondii PHD-finger domain-containing protein 0.0033 0.0363 0.1872
Giardia lamblia Beta tubulin 0.0064 0.1302 0.2215
Plasmodium vivax tubulin beta chain, putative 0.0064 0.1302 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0064 0.1302 0.1302
Entamoeba histolytica tubulin family protein 0.0064 0.1302 0.2346
Brugia malayi alpha-tubulin 0.0064 0.1302 0.2528
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0044 0.0708 0.0708
Brugia malayi PHD-finger family protein 0.0033 0.0363 0.0705
Trichomonas vaginalis tubulin beta chain, putative 0.0064 0.1302 0.2215
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0044 0.0708 0.1375
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0034 0.04 0.1678
Echinococcus multilocularis tubulin alpha chain 0.0064 0.1302 0.1302
Leishmania major beta tubulin 0.0064 0.1302 0.7648
Trypanosoma brucei beta tubulin 0.0064 0.1302 0.7648
Trichomonas vaginalis tubulin, putative 0.0036 0.0462 0.0515
Loa Loa (eye worm) tubulin gamma chain 0.0064 0.1302 0.2528
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0044 0.0708 0.0708
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0029 0.0233 0.0745
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0034 0.04 0.1678
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0102 0.2449 0.4757
Echinococcus multilocularis pyruvate kinase 0.0036 0.045 0.045
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0034 0.04 0.1678
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0044 0.0708 0.1375
Trichomonas vaginalis tubulin gamma chain, putative 0.0064 0.1302 0.2215
Brugia malayi hypothetical protein 0.0041 0.0596 0.1158
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0191 0.5149 1
Echinococcus multilocularis tubulin alpha chain 0.0064 0.1302 0.1302
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0029 0.0233 0.0745
Toxoplasma gondii beta tubulin 0.0064 0.1302 1
Trichomonas vaginalis tubulin beta chain, putative 0.0036 0.0462 0.0515
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0191 0.5149 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0044 0.0708 0.0708
Onchocerca volvulus Pyruvate kinase homolog 0.0036 0.045 0.0874
Trypanosoma brucei zeta tubulin 0.0028 0.0208 0.0402
Loa Loa (eye worm) jmjC domain-containing protein 0.0029 0.0233 0.0452
Brugia malayi jmjC domain containing protein 0.0029 0.0233 0.0452
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0191 0.5149 1
Leishmania major beta tubulin 0.0064 0.1302 0.7648
Loa Loa (eye worm) hypothetical protein 0.0023 0.0076 0.0147
Echinococcus granulosus lysine specific demethylase 6a 0.0029 0.0233 0.0233
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0102 0.2449 0.2449
Onchocerca volvulus Alhambra homolog 0.0033 0.0363 0.0705
Leishmania major pyruvate kinase 0.0036 0.045 0.2008
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0044 0.0708 0.0708
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0064 0.1302 0.1302
Echinococcus granulosus tubulin alpha chain 0.0064 0.1302 0.1302
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0029 0.0233 0.057
Plasmodium falciparum phd finger protein, putative 0.0033 0.0363 0.1872
Loa Loa (eye worm) hypothetical protein 0.0044 0.0708 0.1375
Loa Loa (eye worm) alpha-tubulin 0.0064 0.1302 0.2528
Brugia malayi nuclear receptor RXR 0.0023 0.0076 0.0147
Echinococcus granulosus tubulin beta 1 chain 0.0064 0.1302 0.1302
Mycobacterium ulcerans pyruvate kinase 0.0036 0.045 0.0491
Toxoplasma gondii pyruvate kinase PyK1 0.0036 0.045 0.2625
Echinococcus granulosus mitogen activated protein kinase 3 0.0055 0.1021 0.1021
Echinococcus multilocularis Tubulin beta 2C chain 0.0064 0.1302 0.1302
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0044 0.0708 0.0708
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0175 0.4667 0.4667
Leishmania major beta tubulin 0.0064 0.1302 0.7648
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0044 0.0708 0.1375
Loa Loa (eye worm) beta-tubulin 0.0064 0.1302 0.2528
Brugia malayi jmjC domain containing protein 0.0107 0.2612 0.5073
Echinococcus multilocularis peroxisome assembly protein 26 0.0064 0.1302 0.1302
Schistosoma mansoni alpha tubulin 0.0064 0.1302 0.1302
Echinococcus multilocularis JmjC domain containing protein 4 0.0029 0.0233 0.0233
Echinococcus multilocularis lysine specific demethylase 5A 0.0107 0.2612 0.2612
Giardia lamblia Alpha-tubulin 0.0064 0.1302 0.2215
Leishmania major alpha tubulin 0.0064 0.1302 0.7648
Leishmania major alpha tubulin 0.0064 0.1302 0.7648
Brugia malayi jmjC domain containing protein 0.0029 0.0233 0.0452
Entamoeba histolytica hypothetical protein 0.0041 0.0596 0.0942
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0055 0.1021 0.5788
Plasmodium falciparum pyruvate kinase 0.0036 0.045 0.2625
Leishmania major beta tubulin 0.0064 0.1302 0.7648
Loa Loa (eye worm) tubulin alpha chain 0.0064 0.1302 0.2528
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0044 0.0708 0.0708
Trichomonas vaginalis tubulin alpha chain, putative 0.0036 0.0462 0.0515
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.0596 0.0596
Schistosoma mansoni steroid hormone receptor ad4bp 0.0044 0.0708 0.0708
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0029 0.0233 0.0233
Entamoeba histolytica hypothetical protein 0.0041 0.0596 0.0942
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0076 0.1657 1
Schistosoma mansoni nuclear hormone receptor 0.0044 0.0708 0.0708
Echinococcus granulosus tubulin beta 4A class IVa 0.0064 0.1302 0.1302
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0055 0.1021 0.1983
Leishmania major epsilon tubulin, putative 0.0064 0.1302 0.7648
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0023 0.0076 0.0147
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0191 0.5149 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0023 0.0076 0.0076
Trypanosoma brucei beta tubulin 0.0064 0.1302 0.7648
Echinococcus granulosus lysine specific demethylase 5A 0.0107 0.2612 0.2612
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0044 0.0708 0.1375
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0055 0.1021 0.5788
Echinococcus granulosus Tubulin alpha 1 chain 0.0064 0.1302 0.1302
Loa Loa (eye worm) hypothetical protein 0.0044 0.0708 0.1375
Schistosoma mansoni jumonji/arid domain-containing protein 0.0107 0.2612 0.2612
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0044 0.0708 0.1375
Echinococcus granulosus Tubulin beta 2C chain 0.0064 0.1302 0.1302
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0029 0.0233 0.0233
Loa Loa (eye worm) hypothetical protein 0.0023 0.0076 0.0147
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0425 0.044
Echinococcus multilocularis jumonji domain containing 1A 0.0029 0.0233 0.0233
Trichomonas vaginalis tubulin beta chain, putative 0.0064 0.1302 0.2215
Loa Loa (eye worm) tubulin beta chain 0.0064 0.1302 0.2528
Giardia lamblia Beta tubulin 0.0064 0.1302 0.2215
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0102 0.2449 0.2449
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0044 0.0708 0.0708
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0076 0.1657 0.3218
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.1021 0.1646
Schistosoma mansoni phosphatidylserine receptor 0.0029 0.0233 0.0233
Schistosoma mansoni tubulin subunit beta 0.0064 0.1302 0.1302
Loa Loa (eye worm) hypothetical protein 0.0036 0.045 0.0874
Echinococcus granulosus Tubulin alpha 1 chain 0.0064 0.1302 0.1302
Echinococcus multilocularis jumonji domain containing protein 0.0046 0.0753 0.0753
Loa Loa (eye worm) tubulin alpha-2 chain 0.0064 0.1302 0.2528
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0035 0.0425 0.0826
Loa Loa (eye worm) jmjC domain-containing protein 0.0029 0.0233 0.0452
Echinococcus multilocularis lysine specific demethylase 6a 0.0029 0.0233 0.0233
Leishmania major zeta tubulin, putative 0.0028 0.0208 0.0402
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0044 0.0708 0.1375
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0036 0.045 0.0768
Echinococcus granulosus ecdysone induced protein 78C 0.0044 0.0708 0.0708
Echinococcus granulosus tubulin gamma 1 chain 0.0064 0.1302 0.1302
Trypanosoma cruzi beta tubulin, putative 0.0064 0.1302 0.7648
Toxoplasma gondii alpha tubulin TUBA1 0.0064 0.1302 1
Trypanosoma cruzi zeta tubulin, putative 0.0028 0.0208 0.0402
Giardia lamblia Alpha-tubulin 0.0064 0.1302 0.2215
Echinococcus granulosus mitogen activated protein kinase 0.0055 0.1021 0.1021
Plasmodium falciparum tubulin beta chain 0.0064 0.1302 1
Echinococcus granulosus tubulin alpha 1C chain 0.0064 0.1302 0.1302
Echinococcus multilocularis PHD finger protein rhinoceros 0.0033 0.0363 0.0363
Brugia malayi Cell division protein ftsZ 0.0028 0.0208 0.0403
Entamoeba histolytica tubulin gamma chain 0.0064 0.1302 0.2346
Echinococcus multilocularis phd:f box containing protein 0.0029 0.0233 0.0233
Schistosoma mansoni pyruvate kinase 0.0036 0.045 0.045
Trichomonas vaginalis tubulin epsilon chain, putative 0.0064 0.1302 0.2215
Leishmania major beta tubulin 0.0064 0.1302 0.7648
Loa Loa (eye worm) hypothetical protein 0.0044 0.0708 0.1375
Echinococcus granulosus peroxisome assembly protein 26 0.0064 0.1302 0.1302
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0023 0.0076 0.0076
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0044 0.0708 0.0708
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0055 0.1021 0.7568
Schistosoma mansoni hypothetical protein 0.0352 1 1
Loa Loa (eye worm) tubulin alpha 2 0.0036 0.0462 0.0897
Echinococcus granulosus beta tubulin 0.0064 0.1302 0.1302
Trypanosoma brucei beta tubulin 0.0064 0.1302 0.7648
Echinococcus multilocularis peregrin 0.0033 0.0363 0.0363
Trypanosoma brucei epsilon tubulin 0.0064 0.1302 0.7648
Treponema pallidum cell division protein FtsZ 0.0028 0.0208 0.5
Schistosoma mansoni tubulin subunit beta 0.0064 0.1302 0.1302
Brugia malayi Bromodomain containing protein 0.0033 0.0363 0.0705
Toxoplasma gondii beta-1 tubulin, putative 0.0064 0.1302 1
Schistosoma mansoni tubulin subunit beta 0.0064 0.1302 0.1302
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0033 0.0363 0.0363
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0044 0.0708 0.1375
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.0596 0.0596
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0191 0.5149 1
Leishmania major alpha tubulin 0.0064 0.1302 0.7648
Onchocerca volvulus 0.0191 0.5149 1
Plasmodium falciparum alpha tubulin 1 0.0064 0.1302 1
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0036 0.0462 0.0897
Leishmania major beta tubulin 0.0064 0.1302 0.7648
Leishmania major beta tubulin 0.0064 0.1302 0.7648
Onchocerca volvulus Bile acid receptor homolog 0.0044 0.0708 0.1375
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0044 0.0708 0.1375
Echinococcus granulosus peregrin 0.0033 0.0363 0.0363
Echinococcus granulosus tubulin alpha 0.0064 0.1302 0.1302
Schistosoma mansoni tubulin subunit epsilon 0.0064 0.1302 0.1302
Brugia malayi Tubulin beta chain 0.0028 0.0208 0.0403
Leishmania major alpha tubulin 0.0064 0.1302 0.7648
Mycobacterium leprae Probable pyruvate kinase PykA 0.0036 0.045 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0055 0.1021 0.5788
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0175 0.4667 0.4667
Loa Loa (eye worm) tubulin beta-1 chain 0.0064 0.1302 0.2528
Echinococcus multilocularis hypothetical protein 0.0064 0.1302 0.1302
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0076 0.1657 0.1657
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.1021 0.1646
Echinococcus multilocularis Tubulin alpha 1 chain 0.0064 0.1302 0.1302
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0064 0.1302 0.2215
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0044 0.0708 0.0708
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0191 0.5149 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0029 0.0233 0.0452
Loa Loa (eye worm) hypothetical protein 0.0025 0.0123 0.0238
Echinococcus multilocularis tubulin alpha 1C chain 0.0064 0.1302 0.1302
Echinococcus granulosus JmjC domain containing protein 4 0.0029 0.0233 0.0233
Echinococcus multilocularis Tubulin beta 2C chain 0.0064 0.1302 0.1302
Trichomonas vaginalis tubulin beta chain, putative 0.0064 0.1302 0.2215
Echinococcus multilocularis pyruvate kinase 0.0036 0.045 0.045
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0044 0.0708 0.1375
Loa Loa (eye worm) pyruvate kinase-PB 0.0025 0.0123 0.0238
Entamoeba histolytica tubulin alpha-1 chain 0.0064 0.1302 0.2346
Schistosoma mansoni thyroid hormone receptor 0.0044 0.0708 0.0708
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0044 0.0708 0.0708
Trichomonas vaginalis tubulin epsilon chain, putative 0.0064 0.1302 0.2215
Plasmodium vivax delta tubulin, putative 0.0028 0.0208 0.0525
Trypanosoma cruzi tubulin delta chain 0.0028 0.0208 0.0402
Brugia malayi hypothetical protein 0.0023 0.0076 0.0147
Giardia lamblia PHD finger protein 15 0.0033 0.0363 0.0315
Echinococcus granulosus Tubulin beta 2C chain 0.0064 0.1302 0.1302
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0044 0.0708 0.1375
Schistosoma mansoni tubulin subunit beta 0.0064 0.1302 0.1302
Plasmodium vivax tubulin gamma chain, putative 0.0064 0.1302 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0034 0.04 0.1678
Echinococcus granulosus FTZ F1 alpha 0.0044 0.0708 0.0708
Trypanosoma brucei beta tubulin 0.0064 0.1302 0.7648
Toxoplasma gondii beta-tubulin, putative 0.0064 0.1302 1
Onchocerca volvulus Pyruvate kinase homolog 0.0036 0.045 0.0874
Onchocerca volvulus Protein ultraspiracle homolog 0.0044 0.0708 0.1375
Trypanosoma brucei pyruvate kinase 1, putative 0.0036 0.045 0.2008
Leishmania major alpha tubulin 0.0064 0.1302 0.7648
Onchocerca volvulus 0.0036 0.0462 0.0897
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0102 0.2449 0.4757
Loa Loa (eye worm) steroid hormone receptor 0.0044 0.0708 0.1375
Echinococcus granulosus tubulin epsilon chain 0.0064 0.1302 0.1302
Loa Loa (eye worm) hypothetical protein 0.0044 0.0708 0.1375
Trypanosoma cruzi pyruvate kinase 2, putative 0.0036 0.045 0.2008
Plasmodium vivax tubulin alpha chain, putative 0.0064 0.1302 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0044 0.0708 0.1375
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0044 0.0708 0.1375
Schistosoma mansoni hypothetical protein 0.0352 1 1
Trypanosoma brucei epsilon tubulin 0.0064 0.1302 0.7648
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0102 0.2449 0.2449
Echinococcus multilocularis ecdysone induced protein 78C 0.0044 0.0708 0.0708
Loa Loa (eye worm) hypothetical protein 0.0044 0.0708 0.1375
Leishmania major pyruvate kinase 0.0036 0.045 0.2008
Echinococcus multilocularis tubulin alpha chain 0.0064 0.1302 0.1302
Schistosoma mansoni alpha tubulin 0.0064 0.1302 0.1302
Loa Loa (eye worm) tubulin alpha chain 0.0064 0.1302 0.2528
Echinococcus granulosus tubulin alpha 3 chain 0.0064 0.1302 0.1302
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0023 0.0076 0.0076
Trichomonas vaginalis tubulin beta chain, putative 0.0064 0.1302 0.2215
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0044 0.0708 0.0708
Schistosoma mansoni hypothetical protein 0.0033 0.0363 0.0363
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0076 0.1657 0.1657
Echinococcus granulosus transcription factor Dp 1 0.0044 0.0693 0.0693
Toxoplasma gondii PHD-finger domain-containing protein 0.0033 0.0363 0.1872
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0191 0.5149 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0102 0.2449 0.2449
Trypanosoma cruzi tubulin delta chain 0.0028 0.0208 0.0402
Echinococcus granulosus tubulin alpha chain 0.0064 0.1302 0.1302
Brugia malayi hypothetical protein 0.0026 0.0147 0.0285
Leishmania major alpha tubulin 0.0064 0.1302 0.7648
Trypanosoma brucei pyruvate kinase 1 0.0036 0.045 0.2008
Echinococcus granulosus tubulin subunit TubB 0.0064 0.1302 0.1302
Plasmodium falciparum alpha tubulin 2 0.0064 0.1302 1
Brugia malayi Pyruvate kinase, M2 isozyme 0.0036 0.045 0.0874
Trichomonas vaginalis tubulin alpha chain, putative 0.0036 0.0462 0.0515
Loa Loa (eye worm) tubulin beta chain 0.0028 0.0208 0.0403
Schistosoma mansoni tubulin subunit alpha 0.0028 0.0208 0.0208
Loa Loa (eye worm) hypothetical protein 0.0029 0.0233 0.0452
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0034 0.04 0.0552
Brugia malayi ecdysteroid receptor 0.0044 0.0708 0.1375
Echinococcus granulosus pyruvate kinase 0.0036 0.045 0.045
Echinococcus multilocularis pyruvate kinase 0.0028 0.0222 0.0222
Schistosoma mansoni tubulin subunit alpha 0.0064 0.1302 0.1302
Echinococcus multilocularis geminin 0.0352 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0064 0.1302 0.2215
Leishmania major beta tubulin 0.0064 0.1302 0.7648
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0036 0.0462 0.0515
Loa Loa (eye worm) jmjC domain-containing protein 0.0068 0.1423 0.2764
Toxoplasma gondii peptidylprolyl isomerase 0.0034 0.04 0.2194
Loa Loa (eye worm) alpha-tubulin 0.0064 0.1302 0.2528
Leishmania major beta tubulin 0.0064 0.1302 0.7648
Leishmania major beta tubulin 0.0064 0.1302 0.7648
Echinococcus multilocularis tubulin gamma 1 chain 0.0064 0.1302 0.1302
Plasmodium vivax pyruvate kinase, putative 0.0036 0.045 0.2625
Echinococcus granulosus tubulin delta chain 0.0028 0.0208 0.0208
Schistosoma mansoni tubulin subunit alpha 0.0064 0.1302 0.1302
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0035 0.0425 0.0826
Loa Loa (eye worm) hypothetical protein 0.0074 0.1618 0.3142
Loa Loa (eye worm) pyruvate kinase 0.0036 0.045 0.0874
Leishmania major beta tubulin 0.0064 0.1302 0.7648
Echinococcus multilocularis mitogen activated protein kinase 0.0055 0.1021 0.1021
Loa Loa (eye worm) hypothetical protein 0.0044 0.0708 0.1375
Loa Loa (eye worm) hypothetical protein 0.0064 0.1302 0.2528
Loa Loa (eye worm) BEN-1 protein 0.0064 0.1302 0.2528
Schistosoma mansoni jumonji/arid domain-containing protein 0.0107 0.2612 0.2612
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0055 0.1021 0.5788
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0028 0.0208 0.5
Echinococcus multilocularis beta tubulin 0.0064 0.1302 0.1302
Leishmania major beta tubulin 0.0064 0.1302 0.7648
Echinococcus multilocularis mitogen activated protein kinase 3 0.0055 0.1021 0.1021
Trichomonas vaginalis tubulin alpha chain, putative 0.0064 0.1302 0.2215
Trichomonas vaginalis pyruvate kinase, putative 0.0036 0.045 0.0491
Loa Loa (eye worm) hypothetical protein 0.0026 0.0147 0.0285
Entamoeba histolytica tubulin alpha chain, putative 0.0064 0.1302 0.2346
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0059 0.115 0.6642
Trichomonas vaginalis tubulin, putative 0.0036 0.0462 0.0515
Echinococcus multilocularis FTZ F1 alpha 0.0044 0.0708 0.0708
Brugia malayi Tubulin gamma chain 0.0064 0.1302 0.2528
Echinococcus multilocularis tubulin alpha 3 chain 0.0064 0.1302 0.1302
Echinococcus granulosus phd:f box containing protein 0.0029 0.0233 0.0233
Entamoeba histolytica hypothetical protein 0.0041 0.0596 0.0942
Leishmania major beta tubulin 0.0064 0.1302 0.7648
Schistosoma mansoni tubulin subunit beta 0.0028 0.0208 0.0208
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0044 0.0708 0.0708
Brugia malayi Tubulin beta-1 chain 0.0064 0.1302 0.2528
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0059 0.115 0.1907
Loa Loa (eye worm) hypothetical protein 0.0044 0.0708 0.1375
Echinococcus multilocularis tubulin subunit beta 0.0064 0.1302 0.1302
Loa Loa (eye worm) hypothetical protein 0.0044 0.0708 0.1375
Trypanosoma cruzi tubulin gamma chain 0.0064 0.1302 0.7648
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0023 0.0076 0.0076
Schistosoma mansoni tubulin subunit beta 0.0064 0.1302 0.1302
Brugia malayi tubulin alpha-2 chain 0.0064 0.1302 0.2528
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0044 0.0708 0.1375
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0191 0.5149 1
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0076 0.1657 0.1657
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0044 0.0708 0.1375
Echinococcus granulosus jumonji domain containing protein 0.0046 0.0753 0.0753
Leishmania major hypothetical protein, conserved 0.0029 0.0233 0.057
Schistosoma mansoni RAR-like nuclear receptor 0.0044 0.0708 0.0708
Brugia malayi Nuclear hormone receptor-like 1 0.0044 0.0708 0.1375
Trichomonas vaginalis tubulin gamma chain, putative 0.0064 0.1302 0.2215
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0102 0.2449 0.2449
Loa Loa (eye worm) hypothetical protein 0.0023 0.0076 0.0147
Leishmania major hypothetical protein, conserved 0.0059 0.115 0.6642
Entamoeba histolytica tubulin family protein 0.0064 0.1302 0.2346
Trypanosoma brucei alpha tubulin 0.0064 0.1302 0.7648
Plasmodium falciparum tubulin delta chain, putative 0.0028 0.0208 0.0525
Loa Loa (eye worm) pyruvate kinase 0.0036 0.045 0.0874
Leishmania major alpha tubulin 0.0064 0.1302 0.7648
Loa Loa (eye worm) tubulin beta-4 chain 0.0064 0.1302 0.2528
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0028 0.0208 0.0525
Trypanosoma cruzi epsilon tubulin, putative 0.0064 0.1302 0.7648
Leishmania major delta tubulin, putative 0.0028 0.0208 0.0402
Echinococcus multilocularis tubulin delta chain 0.0028 0.0208 0.0208
Trichomonas vaginalis rotamase, putative 0.0034 0.04 0.039
Trichomonas vaginalis tubulin epsilon chain, putative 0.0064 0.1302 0.2215
Loa Loa (eye worm) tubulin alpha-3 chain 0.0028 0.0208 0.0403
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0076 0.1657 1
Giardia lamblia Gamma tubulin 0.0064 0.1302 0.2215
Schistosoma mansoni tubulin subunit alpha 0.0064 0.1302 0.1302
Trypanosoma cruzi hypothetical protein, conserved 0.0059 0.115 0.6642
Loa Loa (eye worm) tubulin beta-2A chain 0.0064 0.1302 0.2528
Onchocerca volvulus 0.0044 0.0708 0.1375
Echinococcus granulosus tubulin alpha 3 chain 0.0064 0.1302 0.1302
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0044 0.0708 0.0708
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0055 0.1021 0.5788
Echinococcus multilocularis tubulin alpha 3 chain 0.0064 0.1302 0.1302
Leishmania major alpha tubulin 0.0064 0.1302 0.7648
Plasmodium falciparum tubulin gamma chain 0.0064 0.1302 1
Plasmodium vivax JmjC domain containing protein 0.0029 0.0233 0.0745
Trypanosoma brucei alpha tubulin 0.0064 0.1302 0.7648
Brugia malayi MAP kinase sur-1 0.0055 0.1021 0.1983
Loa Loa (eye worm) hypothetical protein 0.0028 0.0208 0.0403
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0132 0.3367 1
Brugia malayi Tubulin alpha-2 chain 0.0064 0.1302 0.2528
Loa Loa (eye worm) tubulin alpha 2 0.0036 0.0462 0.0897
Plasmodium vivax tubulin epsilon chain, putative 0.0064 0.1302 1
Echinococcus multilocularis tubulin beta 1 chain 0.0064 0.1302 0.1302
Brugia malayi jmjC domain containing protein 0.0029 0.0233 0.0452
Leishmania major alpha tubulin 0.0064 0.1302 0.7648
Brugia malayi Tubulin alpha-2 chain 0.0064 0.1302 0.2528
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0029 0.0233 0.0233
Brugia malayi Nuclear hormone receptor-like 1 0.0023 0.0076 0.0147
Echinococcus granulosus Tubulin beta 2C chain 0.0064 0.1302 0.1302
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0191 0.5149 1
Brugia malayi jmjC domain containing protein 0.0175 0.4667 0.9064
Echinococcus granulosus Tubulin beta 2C chain 0.0064 0.1302 0.1302
Brugia malayi Pyruvate kinase, muscle isozyme 0.0036 0.045 0.0874
Echinococcus granulosus tubulin subunit beta 0.0064 0.1302 0.1302
Trypanosoma cruzi epsilon tubulin, putative 0.0064 0.1302 0.7648
Schistosoma mansoni pyruvate kinase 0.0036 0.045 0.045
Trypanosoma brucei alpha tubulin 0.0064 0.1302 0.7648
Echinococcus multilocularis Tubulin beta 2C chain 0.0064 0.1302 0.1302
Leishmania major beta tubulin 0.0064 0.1302 0.7648
Brugia malayi photoreceptor-specific nuclear receptor 0.0044 0.0708 0.1375
Schistosoma mansoni retinoic acid receptor RXR 0.0044 0.0708 0.0708
Brugia malayi hypothetical protein 0.0023 0.0076 0.0147
Leishmania major gamma-tubulin 0.0064 0.1302 0.7648
Leishmania major alpha tubulin 0.0064 0.1302 0.7648
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0044 0.0708 0.0708
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0076 0.1657 1
Leishmania major beta tubulin 0.0064 0.1302 0.7648
Giardia lamblia Pyruvate kinase 0.0036 0.045 0.0491
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0036 0.0462 0.0515
Trichomonas vaginalis tubulin alpha chain, putative 0.0036 0.0462 0.0515
Trichomonas vaginalis tubulin epsilon chain, putative 0.0064 0.1302 0.2215
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0076 0.1657 0.3053
Echinococcus granulosus jumonji domain containing 1A 0.0029 0.0233 0.0233
Loa Loa (eye worm) hypothetical protein 0.0023 0.0076 0.0147
Schistosoma mansoni jumonji domain containing protein 0.0153 0.3997 0.3997
Loa Loa (eye worm) BEN-1 protein 0.0064 0.1302 0.2528
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0044 0.0708 0.0708
Plasmodium vivax hypothetical protein, conserved 0.0033 0.0363 0.1872

Activities

Activity type Activity value Assay description Source Reference
GI (functional) = 52.8 uM Antileishmanial activity against Leishmania infantum MCAN/ES/89/IPZ229/1/89 promastigotes assessed as growth inhibition at 6.25 uM after 24 hrs ChEMBL. 21571403
GI (functional) = 82.8 uM Antileishmanial activity against Leishmania infantum MCAN/ES/89/IPZ229/1/89 promastigotes assessed as growth inhibition at 12.5 uM after 24 hrs ChEMBL. 21571403
GI (functional) = 98.6 uM Antileishmanial activity against Leishmania infantum MCAN/ES/89/IPZ229/1/89 promastigotes assessed as growth inhibition at 25 uM after 24 hrs ChEMBL. 21571403
IC50 (functional) = 3.33 uM Antileishmanial activity against Leishmania infantum MCAN/ES/89/IPZ229/1/89 amastigotes after 24 hrs by microscopy ChEMBL. 21571403
IC50 (functional) = 11.8 uM Antileishmanial activity against Leishmania infantum MCAN/ES/89/IPZ229/1/89 promastigotes after 24 hrs by microscopy ChEMBL. 21571403
IC50 (ADMET) = 14.4 uM Cytotoxicity against human Jurkat cells assessed as live cells in neubauer chamber after 24 hrs by trypan blue assay ChEMBL. 21571403
IC50 (ADMET) = 24 uM Cytotoxicity against human THP1 cells assessed as live cells in neubauer chamber after 24 hrs by trypan blue assay ChEMBL. 21571403

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Leishmania infantum ChEMBL23 21571403
Homo sapiens ChEMBL23 21571403

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

No literature references available for this target.

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