Detailed information for compound 1401022

Basic information

Technical information
  • TDR Targets ID: 1401022
  • Name: 4-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylphen yl)piperazine-1-carboxamide
  • MW: 366.48 | Formula: C20H22N4OS
  • H donors: 1 H acceptors: 2 LogP: 4.22 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCN(CC1)c1nc2c(s1)cccc2)Nc1c(C)cccc1C
  • InChi: 1S/C20H22N4OS/c1-14-6-5-7-15(2)18(14)22-19(25)23-10-12-24(13-11-23)20-21-16-8-3-4-9-17(16)26-20/h3-9H,10-13H2,1-2H3,(H,22,25)
  • InChiKey: OVKRHBNOCCTYSM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylphenyl)-1-piperazinecarboxamide
  • MLS000520588
  • SMR000130999

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens signal transducer and activator of transcription 3 (acute-phase response factor) Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Probable ClpP-like protease Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Treponema pallidum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K06275 parvin, putative Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Babesia bovis ATP-dependent Clp protease proteolytic subunit 1, putative Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium yoelii ATP-dependent Clp protease, proteolytic subunit ClpP, putative Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus peptidase Clp S14 family Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K01358 ATP-dependent Clp protease, protease subunit [EC3.4.21.92], putative Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum ATP-dependent Clp protease proteolytic subunit, related Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 36.0 %
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 180 aa 36.7 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Plasmodium yoelii Clp protease ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.6 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 ATP-dependent Clp protease proteolytic subunit   197 aa 172 aa 57.0 %
Onchocerca volvulus Putative V-type proton ATPase subunit F ATP-dependent Clp protease proteolytic subunit   197 aa 194 aa 54.1 %
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 35.5 %
Chlamydia trachomatis hypothetical protein ATP-dependent Clp protease proteolytic subunit   197 aa 171 aa 22.8 %
Treponema pallidum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 186 aa 40.3 %
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.1 %
Schistosoma mansoni neuropeptide receptor ATP-dependent Clp protease proteolytic subunit   197 aa 174 aa 20.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0094 0.3276 0.5
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.3276 1
Schistosoma mansoni lamin 0.0033 0.0721 0.0323
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0035 0.0835 0.1128
Echinococcus multilocularis lamin 0.0033 0.0721 0.097
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0102 0.3607 0.4991
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0721 0.073
Schistosoma mansoni lamin 0.0033 0.0721 0.0323
Brugia malayi RNA binding protein 0.0076 0.2535 0.2853
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0035 0.0835 0.1128
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0035 0.0835 0.1128
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0705 0.03
Trichomonas vaginalis set domain proteins, putative 0.0255 0.9926 1
Echinococcus granulosus lamin 0.0033 0.0721 0.097
Schistosoma mansoni hypothetical protein 0.0035 0.0835 0.0493
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0094 0.3276 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0102 0.3607 0.4632
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.1038 0.0797
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.1038 0.0445
Loa Loa (eye worm) hypothetical protein 0.0094 0.3276 0.3789
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.1038 1
Echinococcus granulosus GPCR family 2 0.0035 0.0835 0.1128
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.3276 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0035 0.0835 0.0864
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0705 0.0948
Schistosoma mansoni hypothetical protein 0.0035 0.0835 0.0493
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0033 0.0719 0.0358
Loa Loa (eye worm) hypothetical protein 0.0033 0.0721 0.0833
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0705 0.0948
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.1038 0.0445
Entamoeba histolytica hypothetical protein 0.0043 0.117 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.117 0.1596
Brugia malayi Latrophilin receptor protein 2 0.0035 0.0835 0.0864
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0094 0.3276 1
Echinococcus granulosus lamin dm0 0.0033 0.0721 0.097
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2535 0.3032
Brugia malayi Calcitonin receptor-like protein seb-1 0.0112 0.3987 0.4551
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0102 0.3607 0.4991
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.3276 0.5
Brugia malayi STAT protein, DNA binding domain containing protein 0.0191 0.7247 0.8365
Loa Loa (eye worm) beta-lactamase 0.004 0.1038 0.1201
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.1038 0.0445
Loa Loa (eye worm) hypothetical protein 0.004 0.1038 0.1201
Entamoeba histolytica hypothetical protein 0.0043 0.117 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0062 0.1932 0.0997
Onchocerca volvulus 0.0033 0.0721 0.0017
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0705 0.0948
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0033 0.0719 0.0358
Echinococcus granulosus intermediate filament protein 0.0033 0.0721 0.097
Toxoplasma gondii hypothetical protein 0.0033 0.0719 0.0358
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0094 0.3276 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.2535 0.2932
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0102 0.3607 0.4632
Echinococcus multilocularis peptidase Clp (S14 family) 0.0062 0.1932 0.2658
Schistosoma mansoni hypothetical protein 0.0035 0.0835 0.0493
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.1038 0.1102
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0224 0.8646 1
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0721 0.0833
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.117 0.0993
Schistosoma mansoni hypothetical protein 0.0043 0.117 0.0993
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0094 0.3276 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0102 0.3607 0.4106
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0112 0.3987 0.4551
Schistosoma mansoni peptidase Clp (S14 family) 0.0094 0.3276 0.4138
Onchocerca volvulus 0.004 0.1038 0.0361
Echinococcus multilocularis GPCR, family 2 0.0035 0.0835 0.1128
Loa Loa (eye worm) flap endonuclease-1 0.003 0.0624 0.0722
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0112 0.3987 0.4611
Loa Loa (eye worm) RNA binding protein 0.0076 0.2535 0.2932
Loa Loa (eye worm) hypothetical protein 0.0076 0.2528 0.2924
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0705 0.03
Loa Loa (eye worm) hypothetical protein 0.004 0.1038 0.1201
Loa Loa (eye worm) STAT protein 0.0191 0.7247 0.8383
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.1038 0.1413
Schistosoma mansoni hypothetical protein 0.0035 0.0835 0.0493
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.1038 0.1413
Trypanosoma brucei hypothetical protein, conserved 0.004 0.1038 1
Giardia lamblia Flap structure-specific endonuclease 0.003 0.0624 0.5
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0094 0.3276 0.453
Loa Loa (eye worm) latrophilin receptor protein 2 0.0035 0.0835 0.0965
Brugia malayi intermediate filament protein 0.0033 0.0721 0.073
Leishmania major hypothetical protein, conserved 0.004 0.1038 1
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.1038 0.0445
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0705 0.03
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0705 0.0304
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0035 0.0835 0.1128
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.1038 0.0797
Entamoeba histolytica hypothetical protein 0.0043 0.117 1
Onchocerca volvulus 0.004 0.1038 0.0361
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2535 0.3032
Loa Loa (eye worm) hypothetical protein 0.0032 0.0696 0.0805
Onchocerca volvulus 0.0033 0.0721 0.0017
Brugia malayi Probable ClpP-like protease 0.0094 0.3276 0.3719
Brugia malayi beta-lactamase family protein 0.004 0.1038 0.1102
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.1038 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.1038 0.1201
Echinococcus granulosus flap endonuclease 1 0.003 0.0624 0.0836
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0062 0.1932 0.4744
Brugia malayi latrophilin 2 splice variant baaae 0.0076 0.2528 0.2844
Schistosoma mansoni hypothetical protein 0.0076 0.2528 0.3021
Entamoeba histolytica hypothetical protein 0.0043 0.117 1
Loa Loa (eye worm) hypothetical protein 0.004 0.1038 0.1201
Trichomonas vaginalis esterase, putative 0.004 0.1038 0.0445
Onchocerca volvulus 0.004 0.1038 0.0361
Brugia malayi hypothetical protein 0.0043 0.117 0.1256
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2535 0.3032
Mycobacterium leprae conserved hypothetical protein 0.004 0.1038 0.1248
Plasmodium vivax hypothetical protein, conserved 0.004 0.1038 0.1561
Brugia malayi Pre-SET motif family protein 0.0224 0.8646 1
Loa Loa (eye worm) TAR-binding protein 0.0076 0.2535 0.2932
Schistosoma mansoni hypothetical protein 0.0189 0.7202 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.3276 1
Brugia malayi Flap endonuclease-1 0.003 0.0624 0.0618
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0721 0.0833
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0096 0.0111
Schistosoma mansoni hypothetical protein 0.0189 0.7202 1
Brugia malayi beta-lactamase family protein 0.004 0.1038 0.1102
Brugia malayi TAR-binding protein 0.0076 0.2535 0.2853
Plasmodium vivax SET domain protein, putative 0.0032 0.0705 0.0304
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.3276 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.3276 1
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.2535 0.2853
Echinococcus multilocularis flap endonuclease 1 0.003 0.0624 0.0836
Echinococcus multilocularis lamin dm0 0.0033 0.0721 0.097
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2535 0.3032
Loa Loa (eye worm) hypothetical protein 0.0035 0.0835 0.0965
Echinococcus multilocularis musashi 0.0033 0.0721 0.097
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.1038 0.0445
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0102 0.3607 0.4632
Loa Loa (eye worm) hypothetical protein 0.0016 0.0025 0.0028
Schistosoma mansoni intermediate filament proteins 0.0033 0.0721 0.0323
Loa Loa (eye worm) hypothetical protein 0.0112 0.3987 0.4611
Loa Loa (eye worm) hypothetical protein 0.004 0.1038 0.1201
Echinococcus granulosus peptidase Clp S14 family 0.0062 0.1932 0.2658
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0094 0.3276 0.453
Echinococcus granulosus geminin 0.0189 0.7202 1
Loa Loa (eye worm) hypothetical protein 0.004 0.1038 0.1201
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2535 0.3032
Echinococcus multilocularis geminin 0.0189 0.7202 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0102 0.3607 0.4991
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0062 0.1932 0.0997
Onchocerca volvulus 0.0255 0.9926 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0656 0.088
Echinococcus multilocularis tar DNA binding protein 0.0076 0.2535 0.3497
Toxoplasma gondii ABC1 family protein 0.004 0.1038 0.1561
Brugia malayi Pre-SET motif family protein 0.0032 0.0705 0.0712
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.117 0.1596
Loa Loa (eye worm) hypothetical protein 0.0032 0.0705 0.0816
Echinococcus granulosus tar DNA binding protein 0.0076 0.2535 0.3497
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0705 0.03
Brugia malayi beta-lactamase 0.004 0.1038 0.1102
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0102 0.3607 0.4991
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0102 0.3607 0.4172
Loa Loa (eye worm) hypothetical protein 0.004 0.1038 0.1201
Mycobacterium leprae Probable lipase LipE 0.004 0.1038 0.1248

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 4.479 um PUBCHEM_BIOASSAY: Dose response cell-based assay to measure STAT3 inhibition. (Class of assay: confirmatory) [Related pubchem assays: 920, 1317, 1265, 1308, 862 ] ChEMBL. No reference
IC50 (functional) > 55.7 um PUBCHEM_BIOASSAY: Dose response counterscreen assay for STAT3 inhibitors: cell-based high throughput assay to measure STAT1 inhibition. (Class of assay: confirmatory) [Related pubchem assays: 920, 1317, 1265, 1308, 862 ] ChEMBL. No reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.6109 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.3183 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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