Detailed information for compound 1185881

Basic information

Technical information
  • TDR Targets ID: 1185881
  • Name: 5-[chloro-[1-(4-methoxyphenyl)tetrazol-5-yl]m ethylidene]-1-(4-methoxyphenyl)-4-propan-2-yl tetrazole
  • MW: 440.886 | Formula: C20H21ClN8O2
  • H donors: 0 H acceptors: 3 LogP: 5.38 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)n1nnnc1/C(=c/1\n(nnn1c1ccc(cc1)OC)C(C)C)/Cl
  • InChi: 1S/C20H21ClN8O2/c1-13(2)27-20(29(26-25-27)15-7-11-17(31-4)12-8-15)18(21)19-22-23-24-28(19)14-5-9-16(30-3)10-6-14/h5-13H,1-4H3/b20-18-
  • InChiKey: BSPCLSGSSQFXPW-ZZEZOPTASA-N  


Substructure search Similarity search

Network

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Synonyms

  • (5Z)-5-[chloro-[1-(4-methoxyphenyl)tetrazol-5-yl]methylidene]-1-(4-methoxyphenyl)-4-propan-2-yltetrazole
  • 5-[chloro-[1-(4-methoxyphenyl)tetrazol-5-yl]methylene]-1-isopropyl-4-(4-methoxyphenyl)tetrazole
  • (5Z)-5-[chloro-[1-(4-methoxyphenyl)tetrazol-5-yl]methylene]-1-isopropyl-4-(4-methoxyphenyl)tetrazole
  • (5Z)-5-[chloro-[1-(4-methoxyphenyl)-5-tetrazolyl]methylene]-1-isopropyl-4-(4-methoxyphenyl)tetrazole
  • 5-[chloro-[1-(4-methoxyphenyl)-5-tetrazolyl]methylene]-1-isopropyl-4-(4-methoxyphenyl)tetrazole
  • (5Z)-5-[chloro-[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]methylidene]-1-(4-methoxyphenyl)-4-propan-2-yl-1,2,3,4-tetrazole
  • 5-[chloro-[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]methylidene]-1-(4-methoxyphenyl)-4-propan-2-yl-1,2,3,4-tetrazole
  • NCI60_022219
  • 5-(Chloro(1-(4-methoxyphenyl)-1H-tetraazol-5-yl)methylene)-1-isopropyl-4-(4-methoxyphenyl)-4,5-dihydro-1H-tetraazole
  • AIDS-143536
  • AIDS143536
  • NSC664408

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Trypanosoma brucei hypothetical protein, conserved Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania major hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative 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
Trypanosoma brucei hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Leishmania donovani HpcH/HpaI aldolase/citrate lyase family, putative Get druggable targets OG5_146801 All targets in OG5_146801
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma congolense HpcH/HpaI aldolase/citrate lyase family, putative Get druggable targets OG5_146801 All targets in OG5_146801
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi delta-1-pyrroline-5-carboxylate dehydrogenase, putative 0.0018 0.007 0.0054
Loa Loa (eye worm) hypothetical protein 0.0038 0.044 0.0727
Echinococcus multilocularis leucine aminopeptidase protein 0.0336 0.6122 0.612
Brugia malayi hypothetical protein 0.0043 0.0549 0.1186
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1179 0.1174
Mycobacterium leprae conserved hypothetical protein 0.0038 0.044 0.061
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0048 0.0042
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.044 0.061
Loa Loa (eye worm) aminopeptidase in chromosome V 0.0067 0.0996 0.1647
Onchocerca volvulus 0.0038 0.044 0.1686
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.044 0.0661
Echinococcus multilocularis Fatty aldehyde dehydrogenase 0.0018 0.007 0.0065
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.044 0.0727
Loa Loa (eye worm) hypothetical protein 0.0031 0.0313 0.0518
Schistosoma mansoni hypothetical protein 0.0043 0.0549 0.0543
Loa Loa (eye worm) hypothetical protein 0.0044 0.0565 0.0935
Schistosoma mansoni smad1 5 8 and 0.0017 0.0041 0.0036
Echinococcus granulosus aldehyde dehydrogenase family 3 member B1 0.0018 0.007 0.0065
Leishmania major hypothetical protein, conserved 0.0257 0.4619 0.7529
Echinococcus granulosus tar DNA binding protein 0.0076 0.1179 0.1174
Trypanosoma brucei aminopeptidase, putative 0.0067 0.0996 0.1575
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.002 0.0099 0.0094
Echinococcus multilocularis leucyl aminopeptidase 0.0067 0.0996 0.0991
Echinococcus granulosus methyl CpG binding domain protein 2 0.0019 0.0074 0.0068
Entamoeba histolytica hypothetical protein 0.0043 0.0549 1
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0019 0.0074 0.0068
Schistosoma mansoni smad1 5 8 and 0.0017 0.0041 0.0036
Echinococcus multilocularis leucyl aminopeptidase 0.0067 0.0996 0.0991
Brugia malayi MH2 domain containing protein 0.0017 0.0041 0.0089
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0242 0.0401
Onchocerca volvulus 0.0052 0.0721 0.2968
Leishmania major hypothetical protein, conserved 0.0027 0.0239 0.033
Trypanosoma cruzi hypothetical protein, conserved 0.0257 0.4619 0.7529
Trypanosoma cruzi hypothetical protein, conserved 0.0257 0.4619 0.7529
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0549 0.0543
Brugia malayi beta-lactamase 0.0038 0.044 0.0951
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.044 0.061
Schistosoma mansoni ran 0.0023 0.0157 0.0151
Schistosoma mansoni aldehyde dehydrogenase 0.0018 0.007 0.0065
Trypanosoma cruzi aldehyde dehydrogenase family, putative 0.0018 0.007 0.0054
Echinococcus multilocularis cpg binding protein 0.0066 0.0974 0.0969
Loa Loa (eye worm) hypothetical protein 0.005 0.0671 0.1109
Loa Loa (eye worm) aminopeptidase in chromosome III 0.0067 0.0996 0.1647
Brugia malayi hypothetical protein 0.0088 0.1402 0.3031
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.003 0.0284 0.0406
Schistosoma mansoni leucine aminopeptidase 0.0067 0.0996 0.0991
Echinococcus granulosus leucine aminopeptidase protein 0.0336 0.6122 0.612
Onchocerca volvulus 0.0027 0.0242 0.0785
Echinococcus multilocularis importin subunit beta 1 0.0031 0.0313 0.0308
Brugia malayi beta-lactamase family protein 0.0038 0.044 0.0951
Brugia malayi Importin beta-1 subunit 0.0031 0.0313 0.0677
Schistosoma mansoni delta 1-pyrroline-5-carboxylate synthetase 0.0018 0.007 0.0065
Plasmodium falciparum M17 leucyl aminopeptidase 0.0336 0.6122 1
Trypanosoma cruzi pyrroline-5-carboxylate synthetase-like protein, putative 0.0018 0.007 0.0054
Echinococcus multilocularis snurportin 1 0.0332 0.6049 0.6047
Wolbachia endosymbiont of Brugia malayi leucyl aminopeptidase 0.0336 0.6122 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.044 0.0727
Plasmodium vivax importin-beta 2, putative 0.0031 0.0313 0.0262
Brugia malayi cytosol aminopeptidase 0.0067 0.0996 0.2154
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0239 0.033
Mycobacterium ulcerans beta-lactamase 0.0038 0.044 0.061
Schistosoma mansoni aldehyde dehydrogenase 0.0334 0.6083 0.6081
Loa Loa (eye worm) aldehyde dehydrogenase 0.0018 0.007 0.0116
Echinococcus granulosus zinc finger protein 0.0025 0.0192 0.0186
Toxoplasma gondii aldehyde dehydrogenase 0.0334 0.6083 0.9935
Trypanosoma cruzi pyrroline-5-carboxylate synthetase-like protein, putative 0.0018 0.007 0.0054
Schistosoma mansoni zinc finger protein 0.0025 0.0192 0.0186
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0611 0.0605
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.003 0.0284 0.0354
Plasmodium vivax M17 leucyl aminopeptidase, putative 0.0336 0.6122 1
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0023 0.0157 0.0142
Trypanosoma brucei aldehyde dehydrogenase, putative 0.0018 0.007 0.0054
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0201 0.3534
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.044 0.061
Loa Loa (eye worm) hypothetical protein 0.0042 0.0516 0.0854
Echinococcus multilocularis aldehyde dehydrogenase family 3 member B1 0.0018 0.007 0.0065
Schistosoma mansoni aldehyde dehydrogenase 0.0018 0.007 0.0065
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0052 0.0721 0.1558
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0427 0.0924
Leishmania major aldehyde dehydrogenase, putative 0.0018 0.007 0.0054
Brugia malayi MH2 domain containing protein 0.0017 0.0041 0.0089
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0239 0.033
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0239 0.0137
Brugia malayi PHD-finger family protein 0.0031 0.0303 0.0654
Mycobacterium ulcerans aldehyde dehydrogenase 0.0334 0.6083 0.9935
Leishmania major aldehyde dehydrogenase, putative 0.0018 0.007 0.0054
Brugia malayi Bromodomain containing protein 0.0042 0.0515 0.1113
Loa Loa (eye worm) hypothetical protein 0.0257 0.4626 0.7647
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0611 0.0605
Schistosoma mansoni survival motor neuron protein 0.0052 0.0721 0.0716
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0068 0.1024 0.1019
Trypanosoma brucei delta-1-pyrroline-5-carboxylate dehydrogenase, putative 0.0018 0.007 0.0054
Loa Loa (eye worm) RNA binding protein 0.0076 0.1179 0.1949
Echinococcus granulosus GPCR family 2 0.0017 0.0048 0.0042
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0039 0.0466 0.046
Mycobacterium ulcerans lipase LipD 0.0038 0.044 0.061
Treponema pallidum gamma-glutamyl phosphate reductase 0.0018 0.007 0.5
Leishmania major GTP-binding protein, putative 0.0023 0.0157 0.0195
Schistosoma mansoni hypothetical protein 0.0052 0.0721 0.0716
Echinococcus multilocularis survival motor neuron protein 1 0.0257 0.4626 0.4623
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.044 0.061
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0611 0.0605
Schistosoma mansoni hypothetical protein 0.0332 0.6049 0.6047
Trichomonas vaginalis ran, putative 0.0023 0.0157 0.2333
Loa Loa (eye worm) hypothetical protein 0.0037 0.0427 0.0706
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.044 0.0661
Loa Loa (eye worm) hypothetical protein 0.0027 0.0233 0.0385
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0148 0.0245
Schistosoma mansoni aldehyde dehydrogenase 0.0018 0.007 0.0065
Brugia malayi Aminopeptidase ZK353.6 in chromosome III 0.0067 0.0996 0.2154
Mycobacterium ulcerans leucyl aminopeptidase 0.0336 0.6122 1
Schistosoma mansoni hypothetical protein 0.0037 0.0427 0.0422
Echinococcus granulosus fetal alzheimer antigen falz 0.0028 0.0253 0.0248
Echinococcus multilocularis tar DNA binding protein 0.0076 0.1179 0.1174
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.044 1
Schistosoma mansoni smad1 5 8 and 0.0017 0.0041 0.0036
Echinococcus multilocularis zinc finger protein 0.0025 0.0192 0.0186
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.0067 0.0996 0.1575
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.003 0.0284 0.0406
Echinococcus granulosus GTP binding nuclear protein Ran 0.0023 0.0157 0.0151
Schistosoma mansoni hypothetical protein 0.0017 0.0048 0.0042
Loa Loa (eye worm) hypothetical protein 0.0133 0.2262 0.3739
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0611 0.101
Brugia malayi Smad1 0.0017 0.0041 0.0089
Echinococcus granulosus lamin dm0 0.0027 0.0242 0.0237
Loa Loa (eye worm) hypothetical protein 0.0088 0.1402 0.2318
Loa Loa (eye worm) histone methyltransferase 0.0019 0.0076 0.0125
Echinococcus granulosus snurportin 1 0.0332 0.6049 0.6047
Echinococcus granulosus Smad4 0.0017 0.0041 0.0036
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.044 0.061
Schistosoma mansoni hypothetical protein 0.0017 0.0048 0.0042
Echinococcus granulosus ankyrin repeat domain containing protein 17 0.0067 0.0996 0.0991
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0019 0.0076 0.007
Echinococcus multilocularis citrate lyase subunit beta protein 0.003 0.0284 0.0279
Plasmodium vivax hypothetical protein, conserved 0.0038 0.044 0.0475
Mycobacterium tuberculosis Conserved protein 0.0038 0.044 0.061
Loa Loa (eye worm) CXXC zinc finger family protein 0.006 0.0869 0.1437
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.044 0.061
Schistosoma mansoni aldehyde dehydrogenase 0.0334 0.6083 0.6081
Echinococcus multilocularis lamin 0.0027 0.0242 0.0237
Trichomonas vaginalis esterase, putative 0.0038 0.044 1
Onchocerca volvulus 0.0038 0.044 0.1686
Echinococcus multilocularis succinate semialdehyde dehydrogenase 0.0018 0.007 0.0065
Toxoplasma gondii histone lysine methyltransferase SET1 0.0117 0.1946 0.3099
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.044 0.0434
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.003 0.0284 0.0354
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0048 0.0103
Mycobacterium ulcerans aldehyde dehydrogenase 0.0334 0.6083 0.9935
Mycobacterium leprae Probable cytosol aminopeptidase PepB 0.0336 0.6122 1
Brugia malayi Bromodomain containing protein 0.0085 0.1342 0.29
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.002 0.0099 0.0094
Trichomonas vaginalis Citrate lyase beta chain, putative 0.003 0.0284 0.5793
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0157 0.0195
Trypanosoma cruzi aldehyde dehydrogenase, putative 0.0018 0.007 0.0054
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0067 0.0996 0.1575
Brugia malayi CXXC zinc finger family protein 0.006 0.0869 0.1879
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.044 0.0661
Trypanosoma brucei hypothetical protein, conserved 0.0257 0.4619 0.7529
Schistosoma mansoni lamin 0.0027 0.0242 0.0237
Schistosoma mansoni aldehyde dehydrogenase 0.0018 0.007 0.0065
Schistosoma mansoni cpg binding protein 0.0066 0.0974 0.0969
Leishmania major importin beta-1 subunit, putative 0.0025 0.0201 0.0268
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0241 0.4317 0.7018
Mycobacterium ulcerans hypothetical protein 0.0038 0.044 0.061
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.044 0.0434
Loa Loa (eye worm) aldehyde dehydrogenase 4 0.0018 0.007 0.0116
Brugia malayi TAR-binding protein 0.0076 0.1179 0.2549
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0023 0.0157 1
Leishmania major pyrroline-5-carboxylate synthetase-like protein 0.0018 0.007 0.0054
Loa Loa (eye worm) hypothetical protein 0.0038 0.044 0.0727
Brugia malayi Aminopeptidase W07G4.4 in chromosome V 0.0067 0.0996 0.2154
Leishmania major hypothetical protein, conserved 0.0038 0.044 0.0661
Loa Loa (eye worm) beta-lactamase 0.0038 0.044 0.0727
Entamoeba histolytica Ran family GTPase 0.0023 0.0157 0.1802
Trypanosoma cruzi aldehyde dehydrogenase, putative 0.0018 0.007 0.0054
Loa Loa (eye worm) hypothetical protein 0.0088 0.1402 0.2318
Trypanosoma brucei aldehyde dehydrogenase family, putative 0.0018 0.007 0.0054
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0549 0.0543
Echinococcus granulosus survival motor neuron protein 1 0.0257 0.4626 0.4623
Trypanosoma cruzi aldehyde dehydrogenase, putative 0.0018 0.007 0.0054
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0048 0.0079
Brugia malayi hypothetical protein 0.0027 0.0239 0.0516
Brugia malayi Succinate semialdehyde dehydrogenase, mitochondrial precursor 0.0018 0.007 0.0152
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17 0.0067 0.0996 0.1575
Onchocerca volvulus 0.0027 0.0242 0.0785
Chlamydia trachomatis cytosol aminopeptidase 0.0336 0.6122 0.5
Onchocerca volvulus Huntingtin homolog 0.0133 0.2262 1
Brugia malayi RNA binding protein 0.0076 0.1179 0.2549
Schistosoma mansoni cpg binding protein 0.0066 0.0974 0.0969
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0023 0.0157 0.0195
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0023 0.0157 0.0339
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0067 0.0996 0.2154
Loa Loa (eye worm) TAR-binding protein 0.0076 0.1179 0.1949
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.044 0.0434
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0201 0.3534
Schistosoma mansoni succinate semialdehyde dehydrogenase 0.0018 0.007 0.0065
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.0754 0.1631
Brugia malayi MH1 domain containing protein 0.0017 0.0041 0.0089
Loa Loa (eye worm) hypothetical protein 0.0077 0.1187 0.1963
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0334 0.6083 0.9936
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0074 0.0068
Loa Loa (eye worm) hypothetical protein 0.0038 0.044 0.0727
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0074 0.0068
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0234 0.4181 0.6912
Entamoeba histolytica hypothetical protein 0.0043 0.0549 1
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.044 0.061
Schistosoma mansoni hypothetical protein 0.0022 0.0148 0.0143
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1179 0.1174
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0242 0.0524
Brugia malayi Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial precursor 0.0018 0.007 0.0152
Schistosoma mansoni hypothetical protein 0.0017 0.0048 0.0042
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.003 0.0284 0.0354
Mycobacterium ulcerans aldehyde dehydrogenase 0.0334 0.6083 0.9935
Toxoplasma gondii leucyl aminopeptidase LAP 0.0336 0.6122 1
Mycobacterium ulcerans hypothetical protein 0.003 0.0284 0.0354
Brugia malayi follicle stimulating hormone receptor 0.0234 0.4181 0.9038
Toxoplasma gondii ABC1 family protein 0.0038 0.044 0.061
Mycobacterium tuberculosis Probable aminopeptidase PepB 0.0336 0.6122 1
Brugia malayi hypothetical protein 0.0257 0.4626 1
Plasmodium falciparum importin beta, putative 0.0031 0.0313 0.0262
Echinococcus granulosus smad 0.0017 0.0041 0.0036
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0313 0.0453
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0023 0.0157 0.0151
Brugia malayi F/Y-rich N-terminus family protein 0.002 0.0111 0.024
Onchocerca volvulus 0.0038 0.044 0.1686
Schistosoma mansoni Smad4 0.0017 0.0041 0.0036
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0023 0.0157 0.0259
Schistosoma mansoni intermediate filament proteins 0.0027 0.0242 0.0237
Schistosoma mansoni eyes absent homolog 0.0088 0.1402 0.1397
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17 0.0067 0.0996 0.1575
Echinococcus multilocularis Smad4 0.0017 0.0041 0.0036
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0201 0.3534
Brugia malayi hypothetical protein 0.0018 0.0055 0.0119
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.044 1
Schistosoma mansoni smad 0.0017 0.0041 0.0036
Echinococcus multilocularis smad 0.0017 0.0041 0.0036
Loa Loa (eye worm) hypothetical protein 0.0054 0.0754 0.1247
Schistosoma mansoni lamin 0.0027 0.0242 0.0237
Loa Loa (eye worm) hypothetical protein 0.0018 0.007 0.0116
Schistosoma mansoni importin beta-1 0.0031 0.0313 0.0308
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0332 0.6049 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0247 0.443 0.7324
Loa Loa (eye worm) hypothetical protein 0.0027 0.0242 0.0401
Echinococcus granulosus mothers against decapentaplegic 5 0.0017 0.0041 0.0036
Loa Loa (eye worm) MH1 domain-containing protein 0.0017 0.0041 0.0068
Schistosoma mansoni aldehyde dehydrogenase 0.0018 0.007 0.0065
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0549 0.0543
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0611 0.0605
Brugia malayi MH1 domain containing protein 0.0017 0.0041 0.0089
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0611 0.0605
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0128 0.2157 0.2153
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0239 0.0137
Trypanosoma cruzi aldehyde dehydrogenase, putative 0.0018 0.007 0.0054
Echinococcus granulosus histone lysine methyltransferase setb 0.002 0.0099 0.0094
Brugia malayi beta-lactamase family protein 0.0038 0.044 0.0951
Brugia malayi MH2 domain containing protein 0.0247 0.443 0.9578
Loa Loa (eye worm) hypothetical protein 0.0038 0.044 0.0727
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0242 0.0401
Trypanosoma cruzi delta-1-pyrroline-5-carboxylate dehydrogenase, putative 0.0018 0.007 0.0054
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1179 0.1174
Echinococcus granulosus citrate lyase subunit beta protein 0.003 0.0284 0.0279
Mycobacterium tuberculosis Conserved protein 0.0038 0.044 0.061
Entamoeba histolytica hypothetical protein 0.0025 0.0201 0.273
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0039 0.0466 0.046
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0611 0.0605
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.044 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0313 0.0453
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0048 0.0042
Echinococcus multilocularis lamin dm0 0.0027 0.0242 0.0237
Trypanosoma cruzi aldehyde dehydrogenase family, putative 0.0018 0.007 0.0054
Schistosoma mansoni hypothetical protein 0.0017 0.0048 0.0042
Echinococcus multilocularis mothers against decapentaplegic 5 0.0017 0.0041 0.0036
Echinococcus granulosus betaine aldehyde dehydrogenase 0.0018 0.007 0.0065
Echinococcus multilocularis betaine aldehyde dehydrogenase 0.0018 0.007 0.0065
Onchocerca volvulus 0.006 0.0869 0.3645
Echinococcus granulosus intermediate filament protein 0.0027 0.0242 0.0237
Trypanosoma cruzi aldehyde dehydrogenase, putative 0.0018 0.007 0.0054
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0068 0.1024 0.1019
Echinococcus multilocularis leucyl aminopeptidase 0.0067 0.0996 0.0991
Loa Loa (eye worm) Smad1 0.0017 0.0041 0.0068
Echinococcus granulosus succinate semialdehyde dehydrogenase 0.0018 0.007 0.0065
Echinococcus granulosus Fatty aldehyde dehydrogenase 0.0018 0.007 0.0065
Schistosoma mansoni bromodomain containing protein 0.0072 0.1099 0.1093
Loa Loa (eye worm) hypothetical protein 0.0018 0.007 0.0116
Loa Loa (eye worm) transcription factor SMAD2 0.0247 0.443 0.7324
Mycobacterium tuberculosis Conserved protein 0.003 0.0284 0.0354
Trypanosoma cruzi cytosolic leucyl aminopeptidase, putative 0.0336 0.6122 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.044 0.0434
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.0754 0.1631
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0334 0.6083 0.6081
Leishmania major delta-1-pyrroline-5-carboxylate dehydrogenase, putative 0.0018 0.007 0.0054
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0611 0.132
Trypanosoma brucei aldehyde dehydrogenase, putative 0.0018 0.007 0.0054
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0028 0.0253 0.0248
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.002 0.0099 0.0094
Schistosoma mansoni ran 0.0023 0.0157 0.0151
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.044 1
Echinococcus multilocularis musashi 0.0027 0.0242 0.0237
Loa Loa (eye worm) hypothetical protein 0.0017 0.0048 0.0079
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0334 0.6083 0.9935
Echinococcus granulosus TGF beta signal transducer SmadC 0.0017 0.0041 0.0036
Loa Loa (eye worm) hypothetical protein 0.0027 0.0239 0.0394
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0048 0.0042
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0017 0.0041 0.0036
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.0067 0.0996 0.1575
Schistosoma mansoni hypothetical protein 0.0018 0.007 0.0065
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0334 0.6083 0.6081
Schistosoma mansoni hypothetical protein 0.0017 0.0038 0.0032
Echinococcus granulosus lamin 0.0027 0.0242 0.0237
Echinococcus granulosus importin subunit beta 1 0.0031 0.0313 0.0308
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.003 0.0284 0.0406
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.044 0.0951
Onchocerca volvulus Huntingtin homolog 0.0133 0.2262 1
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.1179 0.2549
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.0067 0.0996 0.1575
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.003 0.0284 0.0354
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0336 0.6122 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0239 0.033
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1179 0.1174
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0048 0.0103
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0017 0.0041 0.0036
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.1179 0.1949
Mycobacterium leprae Probable lipase LipE 0.0038 0.044 0.061
Brugia malayi RNA, U transporter 1 0.0088 0.1406 0.304
Leishmania major aldehyde dehydrogenase, putative 0.0018 0.007 0.0054
Echinococcus granulosus leucyl aminopeptidase 0.0067 0.0996 0.0991
Entamoeba histolytica hypothetical protein 0.0043 0.0549 1
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0067 0.0996 0.1575
Echinococcus multilocularis GPCR, family 2 0.0017 0.0048 0.0042
Loa Loa (eye worm) bromodomain containing protein 0.0019 0.0087 0.0144
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0157 0.0195
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0611 0.0605
Trypanosoma cruzi aldehyde dehydrogenase family, putative 0.0018 0.007 0.0054
Schistosoma mansoni cpg binding protein 0.006 0.0869 0.0864
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0239 0.0137
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.044 0.061
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0028 0.0253 0.0248
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.0754 0.1247
Entamoeba histolytica hypothetical protein 0.0043 0.0549 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.044 0.061
Echinococcus multilocularis succinate semialdehyde dehydrogenase 0.0018 0.007 0.0065
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.0313 0.0401
Trypanosoma brucei aldehyde dehydrogenase family, putative 0.0018 0.007 0.0054
Brugia malayi aldehyde dehydrogenase 0.0018 0.007 0.0152
Loa Loa (eye worm) hypothetical protein 0.0038 0.044 0.0727
Brugia malayi Aldehyde dehydrogenase protein 4 0.0018 0.007 0.0152
Mycobacterium ulcerans hypothetical protein 0.003 0.0284 0.0354
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.044 1
Mycobacterium tuberculosis Conserved protein 0.0038 0.044 0.061
Loa Loa (eye worm) delta-1-pyrroline-5-carboxylate dehydrogenase 0.0018 0.007 0.0116
Echinococcus granulosus leucyl aminopeptidase 0.0067 0.0996 0.0991
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0048 0.0042
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17, putative 0.0336 0.6122 1
Leishmania major cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17 0.0336 0.6122 1
Loa Loa (eye worm) hypothetical protein 0.0133 0.2262 0.3739
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0019 0.0076 0.007
Loa Loa (eye worm) hypothetical protein 0.002 0.0099 0.0164
Brugia malayi intermediate filament protein 0.0027 0.0242 0.0524
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0201 0.0268
Brugia malayi hypothetical protein 0.0133 0.2262 0.489
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0239 0.0278
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1179 0.1174
Loa Loa (eye worm) MH2 domain-containing protein 0.0017 0.0041 0.0068
Schistosoma mansoni zinc finger protein 0.0017 0.0038 0.0032
Echinococcus granulosus cpg binding protein 0.0066 0.0974 0.0969
Schistosoma mansoni PwLAP aminopeptidase (M17 family) 0.0067 0.0996 0.0991

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5.647 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.61 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.224 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.091 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.868 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.846 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.779 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.775 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.726 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.2589 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.7781 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 112.2018 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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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