Detailed information for compound 1208121

Basic information

Technical information
  • TDR Targets ID: 1208121
  • Name: 4-(3-fluorophenyl)sulfonyl-N-[(4-methoxypheny l)methyl]piperazine-1-carbothioamide
  • MW: 423.525 | Formula: C19H22FN3O3S2
  • H donors: 0 H acceptors: 2 LogP: 2.77 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)CN=C(N1CCN(CC1)S(=O)(=O)c1cccc(c1)F)S
  • InChi: 1S/C19H22FN3O3S2/c1-26-17-7-5-15(6-8-17)14-21-19(27)22-9-11-23(12-10-22)28(24,25)18-4-2-3-16(20)13-18/h2-8,13H,9-12,14H2,1H3,(H,21,27)
  • InChiKey: LBHLYLMPPOOELK-UHFFFAOYSA-N  

Network

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Synonyms

  • 4-(3-fluorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-1-piperazinecarbothioamide
  • 4-(3-fluorophenyl)sulfonyl-N-(4-methoxybenzyl)piperazine-1-carbothioamide
  • SMR000364621
  • T5346313
  • ZINC03449240
  • MLS000773882

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Epstein-Barr virus (strain B95-8) (HHV-4) (Human herpesvirus 4) Epstein-Barr nuclear antigen 1 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768

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 Diacylglycerol kinase zeta 0.0094 0.0306 0.0306
Plasmodium vivax hypothetical protein, conserved 0.015 0.0542 1
Mycobacterium ulcerans lipase LipD 0.015 0.0542 0.0534
Loa Loa (eye worm) ceramide kinase 0.0094 0.0306 0.0306
Toxoplasma gondii cytochrome p450 superfamily protein 0.0063 0.0176 0.3147
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.001 0.0002
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0097 0.032 0.2761
Mycobacterium ulcerans hypothetical protein 0.2409 1 1
Trypanosoma brucei protein kinase, putative 0.0055 0.0142 0.1188
Loa Loa (eye worm) hypothetical protein 0.0094 0.0306 0.0306
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0063 0.0176 0.0168
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0076 0.0076
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0133 0.0468 0.0468
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.015 0.0542 0.0542
Loa Loa (eye worm) hypothetical protein 0.0051 0.0125 0.0125
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0063 0.0176 0.1484
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0293 0.114 1
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.032 0.5855
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0076 0.0076
Echinococcus multilocularis protein dispatched 1 0.0047 0.011 0.011
Onchocerca volvulus 0.0023 0.001 0.0184
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.0116 0.2018
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0063 0.0176 0.1484
Loa Loa (eye worm) hypothetical protein 0.0041 0.0086 0.0086
Echinococcus granulosus Diacylglycerol kinase theta 0.0094 0.0306 0.0306
Loa Loa (eye worm) hypothetical protein 0.0023 0.001 0.001
Loa Loa (eye worm) hypothetical protein 0.0023 0.001 0.001
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0055 0.0142 0.0142
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0063 0.0176 0.0168
Brugia malayi diacylglycerol kinase 0.0094 0.0306 0.3454
Echinococcus multilocularis GPCR, family 2 0.0031 0.0041 0.0041
Trypanosoma cruzi cytochrome P450, putative 0.0102 0.0339 0.2922
Echinococcus multilocularis expressed conserved protein 0.0091 0.0292 0.0292
Schistosoma mansoni hypothetical protein 0.0094 0.0306 0.0306
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0055 0.0142 0.1188
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0041 0.0085 0.0684
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0063 0.0176 0.0168
Schistosoma mansoni hypothetical protein 0.004 0.008 0.008
Schistosoma mansoni diacylglycerol kinase zeta iota 0.0094 0.0306 0.0306
Brugia malayi ImpB/MucB/SamB family protein 0.0043 0.0095 0.1069
Mycobacterium ulcerans hypothetical protein 0.015 0.0542 0.0534
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.015 0.0542 0.0534
Brugia malayi Diacylglycerol kinase protein 2 0.0094 0.0306 0.3454
Brugia malayi hypothetical protein 0.0094 0.0306 0.3454
Brugia malayi AMP-binding enzyme family protein 0.0023 0.001 0.0112
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0959 0.393 0.3925
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.0142 0.2518
Echinococcus multilocularis Diacylglycerol kinase theta 0.0094 0.0306 0.0306
Loa Loa (eye worm) TAR-binding protein 0.0133 0.0468 0.0468
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.001 0.0002
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.0142 0.2518
Entamoeba histolytica hypothetical protein 0.0039 0.0076 0.0068
Onchocerca volvulus 0.0031 0.0045 0.0824
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0063 0.0176 0.0168
Echinococcus granulosus intermediate filament protein 0.0031 0.0045 0.0045
Schistosoma mansoni hypothetical protein 0.0031 0.0041 0.0041
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0794 0.3237 0.3237
Echinococcus multilocularis protein patched 0.0041 0.0086 0.0086
Echinococcus granulosus dna polymerase eta 0.0043 0.0095 0.0095
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.001 0.0002
Brugia malayi Eye-specific diacylglycerol kinase 0.0094 0.0306 0.3454
Echinococcus granulosus cytochrome P450 2K1 0.0063 0.0176 0.0176
Echinococcus multilocularis acylglycerol kinase, mitochondrial 0.0094 0.0306 0.0306
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0097 0.0319 0.3606
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0041 0.0041
Schistosoma mansoni serine/threonine protein kinase 0.0097 0.032 0.032
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0293 0.114 1
Giardia lamblia Kinase, CMGC MAPK 0.0055 0.0142 0.4302
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0008 0.0008
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0201 0.0753 0.0753
Leishmania major hypothetical protein, conserved 0.0094 0.0306 0.2631
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0045 0.0505
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0063 0.0176 0.0168
Brugia malayi hypothetical protein 0.0231 0.0882 0.9969
Brugia malayi diacylglycerol kinase 0.0094 0.0306 0.3454
Entamoeba histolytica hypothetical protein 0.0039 0.0076 0.0068
Echinococcus multilocularis 0.0063 0.0176 0.0176
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0063 0.0176 0.0168
Echinococcus multilocularis Niemann Pick C1 protein 0.0138 0.049 0.049
Trichomonas vaginalis bmru protein, putative 0.0094 0.0306 0.558
Loa Loa (eye worm) hypothetical protein 0.015 0.0542 0.0542
Loa Loa (eye worm) beta-lactamase 0.015 0.0542 0.0542
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0041 0.0041
Schistosoma mansoni hypothetical protein 0.004 0.008 0.008
Brugia malayi CHE-14 protein 0.0041 0.0086 0.0971
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.032 0.5855
Mycobacterium ulcerans diacylglycerol kinase 0.0094 0.0306 0.0298
Loa Loa (eye worm) cytochrome P450 family protein 0.0232 0.0885 0.0885
Echinococcus multilocularis dna polymerase eta 0.0043 0.0095 0.0095
Echinococcus multilocularis tar DNA binding protein 0.0133 0.0468 0.0468
Brugia malayi beta-lactamase family protein 0.015 0.0542 0.612
Brugia malayi serine/threonine-protein kinase plk-2 0.0097 0.032 0.362
Echinococcus multilocularis musashi 0.0031 0.0045 0.0045
Brugia malayi TAR-binding protein 0.0133 0.0468 0.5294
Trypanosoma cruzi Diacylglycerol kinase catalytic domain containing protein, putative 0.0094 0.0306 0.2631
Mycobacterium tuberculosis Conserved protein 0.015 0.0542 0.0534
Echinococcus multilocularis lamin 0.0031 0.0045 0.0045
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0086 0.1463
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0063 0.0176 0.0168
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0063 0.0176 0.0168
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.001 0.0002
Echinococcus multilocularis survival motor neuron protein 1 0.0231 0.0882 0.0882
Brugia malayi cytochrome P450 0.0063 0.0176 0.1987
Loa Loa (eye worm) cytochrome P450 0.0063 0.0176 0.0176
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0063 0.0176 0.0168
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.032 0.5855
Brugia malayi latrophilin 2 splice variant baaae 0.0066 0.0191 0.2153
Echinococcus multilocularis Diacylglycerol kinase zeta 0.0094 0.0306 0.0306
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0063 0.0176 0.0168
Leishmania major DNA polymerase eta, putative 0.0031 0.0041 0.0289
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0085 0.0684
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0008 0.0008
Mycobacterium ulcerans beta-lactamase 0.015 0.0542 0.0534
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0063 0.0176 0.0168
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.001 0.0002
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.015 0.0542 0.0534
Loa Loa (eye worm) hypothetical protein 0.015 0.0542 0.0542
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0063 0.0176 0.0168
Onchocerca volvulus 0.015 0.0542 1
Echinococcus multilocularis sphingosine kinase 1 0.2409 1 1
Schistosoma mansoni hypothetical protein 0.0031 0.0041 0.0041
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0063 0.0176 0.0168
Mycobacterium tuberculosis Conserved protein 0.015 0.0542 0.0534
Plasmodium vivax diacylglycerol kinase, putative 0.0094 0.0306 0.5644
Trichomonas vaginalis D-aminoacylase, putative 0.015 0.0542 1
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0086 0.0086
Mycobacterium tuberculosis Probable lipase LipE 0.015 0.0542 0.0534
Brugia malayi MAP kinase sur-1 0.0055 0.0142 0.1608
Toxoplasma gondii diacylglycerol kinase accessory domain (presumed) domain-containing protein 0.0094 0.0306 0.558
Schistosoma mansoni ap endonuclease 0.0023 0.0008 0.0008
Brugia malayi RNA recognition motif domain containing protein 0.0133 0.0468 0.5294
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.0116 0.2018
Mycobacterium ulcerans hypothetical protein 0.0023 0.001 0.0002
Trypanosoma cruzi diacylglycerol kinase, putative 0.0094 0.0306 0.2631
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.032 0.5855
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0063 0.0176 0.0168
Loa Loa (eye worm) cytochrome P450 family protein 0.0102 0.0339 0.0339
Schistosoma mansoni hypothetical protein 0.0063 0.0176 0.0176
Schistosoma mansoni proteasome subunit alpha 6 (T01 family) 0.0094 0.0306 0.0306
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0063 0.0176 0.0168
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0139 0.0493 0.429
Brugia malayi Cytochrome P450 family protein 0.0102 0.0339 0.3826
Loa Loa (eye worm) hypothetical protein 0.015 0.0542 0.0542
Entamoeba histolytica hypothetical protein 0.0039 0.0076 0.0068
Schistosoma mansoni diacylglycerol kinase theta 0.0094 0.0306 0.0306
Trypanosoma cruzi DNA polymerase eta, putative 0.0043 0.0095 0.0767
Schistosoma mansoni hypothetical protein 0.0166 0.0607 0.0607
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0063 0.0176 0.0168
Brugia malayi Cytochrome P450 family protein 0.0232 0.0885 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0097 0.032 0.2761
Trichomonas vaginalis bmru protein, putative 0.0094 0.0306 0.558
Mycobacterium leprae conserved hypothetical protein 0.015 0.0542 1
Leishmania major cytochrome p450-like protein 0.0063 0.0176 0.1484
Toxoplasma gondii ABC1 family protein 0.015 0.0542 1
Plasmodium falciparum diacylglycerol kinase, putative 0.0094 0.0306 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0098 0.0323 0.0323
Schistosoma mansoni lipoxygenase 0.0125 0.0435 0.0435
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0063 0.0176 0.0168
Brugia malayi RNA binding protein 0.0133 0.0468 0.5294
Loa Loa (eye worm) hypothetical protein 0.015 0.0542 0.0542
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0008 0.0145
Schistosoma mansoni tar DNA-binding protein 0.0133 0.0468 0.0468
Trichomonas vaginalis conserved hypothetical protein 0.0094 0.0306 0.558
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.001 0.0018
Echinococcus granulosus GPCR family 2 0.0031 0.0041 0.0041
Schistosoma mansoni kinase 0.005 0.0121 0.0121
Schistosoma mansoni hypothetical protein 0.0031 0.0041 0.0041
Loa Loa (eye worm) cytochrome P450 family protein 0.0102 0.0339 0.0339
Echinococcus granulosus Niemann Pick C1 protein 0.0096 0.0316 0.0316
Schistosoma mansoni sphingoid long chain base kinase 0.2409 1 1
Brugia malayi AMP-binding enzyme family protein 0.0023 0.001 0.0112
Brugia malayi beta-lactamase family protein 0.015 0.0542 0.612
Trypanosoma cruzi polo-like protein kinase, putative 0.0097 0.032 0.2761
Brugia malayi AMP-binding enzyme family protein 0.0023 0.001 0.0112
Loa Loa (eye worm) hypothetical protein 0.0231 0.0882 0.0882
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0063 0.0176 0.0168
Trypanosoma brucei diacylglycerol kinase, putative 0.0094 0.0306 0.2631
Echinococcus granulosus lamin dm0 0.0031 0.0045 0.0045
Trichomonas vaginalis diacylglycerol kinase, epsilon, putative 0.0094 0.0306 0.558
Loa Loa (eye worm) hypothetical protein 0.0094 0.0306 0.0306
Entamoeba histolytica diacylglycerol kinase, putative 0.0094 0.0306 0.0298
Trypanosoma brucei cytochrome P450, putative 0.0102 0.0339 0.2922
Trichomonas vaginalis diacylglycerol kinase, putative 0.0094 0.0306 0.558
Schistosoma mansoni patched 1 0.0041 0.0086 0.0086
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0008 0.0089
Mycobacterium tuberculosis Probable esterase LipL 0.015 0.0542 0.0534
Trypanosoma brucei DNA polymerase eta, putative 0.0043 0.0095 0.0767
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0201 0.0753 0.0753
Trypanosoma cruzi hypothetical protein, conserved 0.015 0.0542 0.4715
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0125 0.0435 0.0435
Brugia malayi intermediate filament protein 0.0031 0.0045 0.0505
Schistosoma mansoni intermediate filament proteins 0.0031 0.0045 0.0045
Schistosoma mansoni tar DNA-binding protein 0.0133 0.0468 0.0468
Trichomonas vaginalis diacylglycerol kinase, zeta, iota, putative 0.0094 0.0306 0.558
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0201 0.0753 0.0753
Loa Loa (eye worm) hypothetical protein 0.0031 0.0042 0.0042
Plasmodium falciparum diacylglycerol kinase, putative 0.0094 0.0306 1
Echinococcus multilocularis mitogen activated protein kinase 0.0055 0.0142 0.0142
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0045 0.0045
Onchocerca volvulus 0.015 0.0542 1
Trypanosoma cruzi hypothetical protein, conserved 0.015 0.0542 0.4715
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0063 0.0176 0.0168
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0055 0.0142 0.1188
Schistosoma mansoni hypothetical protein 0.004 0.008 0.008
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0063 0.0176 0.0168
Leishmania major hypothetical protein, conserved 0.015 0.0542 0.4715
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0125 0.0435 0.0435
Schistosoma mansoni tar DNA-binding protein 0.0133 0.0468 0.0468
Echinococcus granulosus expressed conserved protein 0.0091 0.0292 0.0292
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.0142 0.2518
Giardia lamblia Kinase, PLK 0.0097 0.032 1
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0041 0.0085 0.0684
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.001 0.0018
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0055 0.0142 0.1188
Onchocerca volvulus 0.015 0.0542 1
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.0142 0.2518
Schistosoma mansoni lamin 0.0031 0.0045 0.0045
Onchocerca volvulus 0.0031 0.0045 0.0824
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.005 0.0123 0.1017
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.032 0.5855
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.001 0.0002
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.001 0.0002
Loa Loa (eye worm) hypothetical protein 0.0031 0.0041 0.0041
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0063 0.0176 0.0168
Trypanosoma brucei polo-like protein kinase 0.0097 0.032 0.2761
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.001 0.0002
Mycobacterium tuberculosis Conserved protein 0.015 0.0542 0.0534
Echinococcus granulosus tar DNA binding protein 0.0133 0.0468 0.0468
Loa Loa (eye worm) hypothetical protein 0.0031 0.0045 0.0045
Schistosoma mansoni hypothetical protein 0.0039 0.0076 0.0076
Echinococcus multilocularis ceramide kinase 0.0094 0.0306 0.0306
Schistosoma mansoni DNA polymerase eta 0.0043 0.0095 0.0095
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0063 0.0176 0.0168
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0063 0.0176 0.0168
Onchocerca volvulus 0.0094 0.0306 0.5644
Echinococcus granulosus mitogen activated protein kinase 0.0055 0.0142 0.0142
Brugia malayi Cytochrome P450 family protein 0.0063 0.0176 0.1987
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0055 0.0142 0.2518
Loa Loa (eye worm) hypothetical protein 0.0039 0.0076 0.0076
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.015 0.0542 0.0534
Entamoeba histolytica serine/threonine protein kinase, putative 0.0097 0.032 0.0313
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0063 0.0176 0.1484
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0097 0.032 0.032
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0008 0.5
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0063 0.0176 0.0168
Schistosoma mansoni tar DNA-binding protein 0.0133 0.0468 0.0468
Echinococcus multilocularis geminin 0.0166 0.0607 0.0607
Brugia malayi hypothetical protein 0.0039 0.0076 0.0857
Loa Loa (eye worm) CYP4Cod1 0.0102 0.0339 0.0339
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0086 0.0086
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0096 0.0316 0.0309
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0086 0.0086
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0139 0.0493 0.429
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0086 0.0086
Brugia malayi beta-lactamase 0.015 0.0542 0.612
Trypanosoma cruzi diacylglycerol kinase-like protein, putative 0.0094 0.0306 0.2631
Loa Loa (eye worm) hypothetical protein 0.015 0.0542 0.0542
Loa Loa (eye worm) hypothetical protein 0.0043 0.0095 0.0095
Trypanosoma cruzi diacylglycerol kinase-like protein, putative 0.0094 0.0306 0.2631
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0063 0.0176 0.0168
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0201 0.0753 0.0753
Trypanosoma cruzi Sphingosine kinase 0.0094 0.0306 0.2631
Trichomonas vaginalis D-aminoacylase, putative 0.015 0.0542 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.011 0.1249
Mycobacterium tuberculosis Probable hydrolase 0.015 0.0542 0.0534
Leishmania major DNA polymerase eta, putative 0.0043 0.0095 0.0767
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0055 0.0142 0.1188
Trypanosoma brucei Diacylglycerol kinase catalytic domain containing protein, putative 0.0094 0.0306 0.2631
Loa Loa (eye worm) RNA binding protein 0.0133 0.0468 0.0468
Echinococcus granulosus acylglycerol kinase mitochondrial 0.0094 0.0306 0.0306
Brugia malayi Cytochrome P450 family protein 0.0102 0.0339 0.3826
Trypanosoma cruzi hypothetical protein, conserved 0.0094 0.0306 0.2631
Trypanosoma brucei hypothetical protein, conserved 0.015 0.0542 0.4715
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0041 0.0467
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0041 0.0041
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0063 0.0176 0.0168
Leishmania major mitochondrial DNA polymerase beta 0.0293 0.114 1
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0045 0.0045
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0008 0.0008
Trypanosoma cruzi diacylglycerol kinase, putative 0.0094 0.0306 0.2631
Schistosoma mansoni tar DNA-binding protein 0.0133 0.0468 0.0468
Loa Loa (eye worm) hypothetical protein 0.0023 0.001 0.001
Mycobacterium ulcerans hypothetical protein 0.0154 0.0559 0.0552
Mycobacterium tuberculosis Conserved hypothetical protein 0.0154 0.0559 0.0552
Leishmania major diacylglycerol kinase-like protein 0.0094 0.0306 0.2631
Schistosoma mansoni hypothetical protein 0.0031 0.0041 0.0041
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0063 0.0176 0.0168
Echinococcus granulosus geminin 0.0166 0.0607 0.0607
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0063 0.0176 0.0168
Plasmodium vivax diacylglycerol kinase, putative 0.0094 0.0306 0.5644
Trypanosoma cruzi Sphingosine kinase 0.0094 0.0306 0.2631
Schistosoma mansoni hypothetical protein 0.0166 0.0607 0.0607
Loa Loa (eye worm) diacylglycerol kinase 2 0.0094 0.0306 0.0306
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0076 0.0076
Trichomonas vaginalis diacylglycerol kinase, putative 0.0094 0.0306 0.558
Mycobacterium tuberculosis Diacylglycerol kinase 0.0094 0.0306 0.0298
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0055 0.0142 0.1188
Schistosoma mansoni ap endonuclease 0.0023 0.0008 0.0008
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0201 0.0753 0.0753
Trichomonas vaginalis diacylglycerol kinase, zeta, iota, putative 0.0094 0.0306 0.558
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0085 0.0684
Mycobacterium leprae putative cytochrome p450 0.0063 0.0176 0.312
Leishmania major cytochrome p450-like protein 0.0102 0.0339 0.2922
Toxoplasma gondii diacylglycerol kinase, putative 0.0094 0.0306 0.558
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0063 0.0176 0.0168
Trypanosoma cruzi cytochrome P450, putative 0.0102 0.0339 0.2922
Leishmania major hypothetical protein, conserved 0.0094 0.0306 0.2631
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0063 0.0176 0.0168
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.001 0.0002
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.001 0.0002
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0063 0.0176 0.1484
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0293 0.114 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0041 0.0041
Mycobacterium tuberculosis Probable lipase LipD 0.015 0.0542 0.0534
Onchocerca volvulus Serine\/threonine kinase homolog 0.0097 0.032 0.5915
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0041 0.0041
Schistosoma mansoni hypothetical protein 0.0047 0.011 0.011
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0063 0.0176 0.0168
Leishmania major cytochrome p450-like protein 0.0063 0.0176 0.1484
Onchocerca volvulus 0.0047 0.011 0.204
Entamoeba histolytica hypothetical protein, conserved 0.2409 1 1
Schistosoma mansoni diacylglycerol kinase theta 0.0094 0.0306 0.0306
Loa Loa (eye worm) hypothetical protein 0.0066 0.0191 0.0191
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.015 0.0542 0.0542
Echinococcus granulosus lamin 0.0031 0.0045 0.0045
Trichomonas vaginalis penicillin-binding protein, putative 0.015 0.0542 1
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.032 0.5855
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.001 0.0002
Trypanosoma cruzi DNA polymerase eta, putative 0.0031 0.0041 0.0289
Echinococcus granulosus survival motor neuron protein 1 0.0231 0.0882 0.0882
Brugia malayi Calcitonin receptor-like protein seb-1 0.0097 0.0319 0.3606
Mycobacterium ulcerans esterase/lipase LipP 0.015 0.0542 0.0534
Entamoeba histolytica diacylglycerol kinase, putative 0.0094 0.0306 0.0298
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0201 0.0753 0.0753
Loa Loa (eye worm) eye-specific diacylglycerol kinase 0.0094 0.0306 0.0306
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0063 0.0176 0.0168
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0097 0.032 0.032
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0063 0.0176 0.0168
Trichomonas vaginalis D-aminoacylase, putative 0.015 0.0542 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0008 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.015 0.0542 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0055 0.0142 0.1188
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0139 0.0493 0.429
Toxoplasma gondii diacylglycerol kinase catalytic domain-containing protein 0.0094 0.0306 0.558
Echinococcus granulosus Niemann Pick C1 protein 0.0138 0.049 0.049
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0201 0.0753 0.0753
Trypanosoma brucei hypothetical protein, conserved 0.0094 0.0306 0.2631
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0063 0.0176 0.0168
Leishmania major diacylglycerol kinase, putative 0.0094 0.0306 0.2631
Echinococcus multilocularis Niemann Pick C1 protein 0.0096 0.0316 0.0316
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0102 0.0339 0.0331
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0063 0.0176 0.0168
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0055 0.0142 0.1188
Schistosoma mansoni hypothetical protein 0.0066 0.0191 0.0191
Trypanosoma brucei Sphingosine kinase 0.0094 0.0306 0.2631
Toxoplasma gondii hypothetical protein 0.0047 0.0111 0.1926
Trichomonas vaginalis sphingosine kinase, putative 0.0094 0.0306 0.558
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0063 0.0176 0.0168
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0031 0.0041 0.0613
Entamoeba histolytica hypothetical protein 0.0039 0.0076 0.0068
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0201 0.0753 0.0753
Schistosoma mansoni lamin 0.0031 0.0045 0.0045
Schistosoma mansoni serine/threonine protein kinase 0.0055 0.0142 0.0142
Brugia malayi Niemann-Pick C1 protein precursor 0.0096 0.0316 0.3575
Mycobacterium leprae Probable lipase LipE 0.015 0.0542 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0201 0.0753 0.851
Mycobacterium leprae Conserved hypothetical protein 0.0063 0.0176 0.312
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0063 0.0176 0.0168
Loa Loa (eye worm) hypothetical protein 0.0097 0.0319 0.0319
Echinococcus granulosus ceramide kinase 0.0094 0.0306 0.0306
Entamoeba histolytica diacylglycerol kinase, putative 0.0094 0.0306 0.0298
Mycobacterium tuberculosis Probable conserved lipoprotein 0.015 0.0542 0.0534
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0041 0.0467
Loa Loa (eye worm) hypothetical protein 0.0096 0.0316 0.0316
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0097 0.0319 0.0319
Schistosoma mansoni sphingosine kinase A B 0.2409 1 1
Entamoeba histolytica diacylglycerol kinase, putative 0.0094 0.0306 0.0298
Echinococcus granulosus beta LACTamase domain containing family member 0.015 0.0542 0.0542
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0063 0.0176 0.0168
Echinococcus multilocularis beta LACTamase domain containing family member 0.015 0.0542 0.0542
Brugia malayi Ceramide kinase 0.0094 0.0306 0.3454
Echinococcus multilocularis mitogen activated protein kinase 3 0.0055 0.0142 0.0142
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.015 0.0542 0.0542
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.032 0.5855
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.001 0.0018
Onchocerca volvulus Ceramide kinase 1 homolog 0.0094 0.0306 0.5644
Leishmania major sphingosine kinase A, B, putative 0.0094 0.0306 0.2631
Trichomonas vaginalis sphingosine kinase, putative 0.0094 0.0306 0.558
Schistosoma mansoni lipoxygenase 0.0087 0.0278 0.0278
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0063 0.0176 0.1484
Loa Loa (eye worm) hypothetical protein 0.0094 0.0306 0.0306
Schistosoma mansoni survival motor neuron protein 0.0047 0.011 0.011
Loa Loa (eye worm) hypothetical protein 0.015 0.0542 0.0542
Trichomonas vaginalis esterase, putative 0.015 0.0542 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0055 0.0142 0.0142
Schistosoma mansoni hypothetical protein 0.004 0.008 0.008
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.015 0.0542 0.612
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0097 0.032 0.032
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0063 0.0176 0.0168
Mycobacterium tuberculosis Conserved protein 0.2409 1 1
Schistosoma mansoni cytochrome P450 0.0063 0.0176 0.0176
Loa Loa (eye worm) hypothetical protein 0.2409 1 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.001 0.0002
Echinococcus multilocularis lamin dm0 0.0031 0.0045 0.0045
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0063 0.0176 0.0168
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0008 0.0257

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 5.942 um PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput dose response assay for inhibitors of the Epstein-Barr virus nuclear antigen 1 (EBNA-1). (Class of assay: confirmatory) [Related pubchem assays: 2292 (Confirmation (EBNA-1 inhibitors in triplicate)), 2328 (Counterscreen (ZTA inhibitors in triplicate)), 1955 (Summary (EBNA-1 inhibitors))] ChEMBL. No reference
IC50 (binding) > 111.248 um PUBCHEM_BIOASSAY: Counterscreen for inhibitors of EBNA-1: fluorescence polarization-based biochemical high throughput dose response assay to identify inhibitors of the Epstein-Barr virus-encoded protein, ZTA. (Class of assay: confirmatory) [Related pubchem assays: 2292 (Confirmation (EBNA-1 inhibitors in triplicate)), 2328 (Counterscreen (ZTA inhibitors in triplicate)), 1955 (Summary (EBNA-1 inhibitors))] ChEMBL. No reference
Potency (functional) 0.0032 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.2944 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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