Detailed information for compound 1395934

Basic information

Technical information
  • TDR Targets ID: 1395934
  • Name: (NE)-4-methyl-N-[methyl-(4-methylphenyl)-$l^{ 4}-sulfanylidene]benzenesulfonamide
  • MW: 307.431 | Formula: C15H17NO2S2
  • H donors: 0 H acceptors: 2 LogP: 4.81 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)S(=NS(=O)(=O)c1ccc(cc1)C)C
  • InChi: 1S/C15H17NO2S2/c1-12-4-8-14(9-5-12)19(3)16-20(17,18)15-10-6-13(2)7-11-15/h4-11H,1-3H3
  • InChiKey: HZTFMTGJVKQSNS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-methyl-N-[methyl-(4-methylphenyl)-$l^{4}-sulfanylidene]benzenesulfonamide
  • 24702-26-9
  • 4-methyl-N-[methyl(4-methylphenyl)-lambda~4~-sulfanylidene]benzenesulfonamide
  • MLS000539678
  • SMR000162008
  • Oprea1_744664
  • NSC131876
  • AG-803/12478027

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens snurportin 1 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi MH2 domain containing protein 0.0144 0.3425 0.4702
Schistosoma mansoni serine/threonine protein kinase 0.0297 0.7838 0.7838
Schistosoma mansoni unc-13 (munc13) 0.0072 0.1342 0.1342
Schistosoma mansoni protein kinase C mu 0.0185 0.4613 0.4613
Loa Loa (eye worm) hypothetical protein 0.0043 0.0516 0.0516
Trichomonas vaginalis AGC family protein kinase 0.0075 0.1433 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0516 0.36
Echinococcus granulosus myotubularin protein 13 0.0069 0.1246 0.1246
Brugia malayi beta-lactamase family protein 0.0043 0.0516 0.0708
Echinococcus granulosus protein kinase C gamma type 0.0232 0.5968 0.5968
Loa Loa (eye worm) hypothetical protein 0.0119 0.2685 0.2685
Mycobacterium ulcerans beta-lactamase 0.0043 0.0516 0.5
Onchocerca volvulus 0.0119 0.2685 0.3332
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0065 0.113 0.113
Loa Loa (eye worm) hypothetical protein 0.0035 0.0266 0.0266
Schistosoma mansoni serine/threonine protein kinase 0.0071 0.1317 0.1317
Schistosoma mansoni diacylglycerol kinase theta 0.0065 0.113 0.113
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0297 0.7838 0.7838
Brugia malayi Protein kinase domain containing protein 0.0075 0.1433 0.1967
Loa Loa (eye worm) hypothetical protein 0.0154 0.3698 0.3698
Echinococcus granulosus Rac GTPase activating protein 1 0.0065 0.113 0.113
Brugia malayi Ras association domain family 1 isoform A 0.0065 0.113 0.1552
Loa Loa (eye worm) cytochrome P450 family protein 0.0027 0.0049 0.0049
Schistosoma mansoni protein kinase C 0.0072 0.1342 0.1342
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0071 0.1317 0.1317
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0075 0.1461
Schistosoma mansoni unc-13 (munc13) 0.0072 0.1342 0.1342
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0266 0.0266
Leishmania major hypothetical protein, conserved 0.0043 0.0516 1
Echinococcus granulosus protein kinase c eta type 0.0065 0.113 0.113
Brugia malayi Cytochrome P450 family protein 0.0027 0.0049 0.0067
Toxoplasma gondii ABC1 family protein 0.0043 0.0516 0.3916
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0121 0.2743 0.2743
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0072 0.1342 0.1342
Brugia malayi Pleckstrin Homology Domain 0.0069 0.1246 0.1711
Trichomonas vaginalis AGC family protein kinase 0.0075 0.1433 1
Mycobacterium ulcerans hypothetical protein 0.0043 0.0516 0.5
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.7286 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0516 0.0516
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0516 0.36
Loa Loa (eye worm) hypothetical protein 0.0043 0.0516 0.0516
Echinococcus multilocularis serine threonine protein kinase 0.0232 0.5968 0.5968
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0163 0.3967 0.3967
Mycobacterium ulcerans lipase LipD 0.0043 0.0516 0.5
Echinococcus granulosus N chimaerin 0.0065 0.113 0.113
Loa Loa (eye worm) hypothetical protein 0.0043 0.0516 0.0516
Brugia malayi Protein kinase domain containing protein 0.0071 0.1317 0.1808
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0069 0.126 0.8796
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0075 0.0526
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0516 0.36
Onchocerca volvulus 0.0269 0.7027 1
Brugia malayi beta-lactamase family protein 0.0043 0.0516 0.0708
Entamoeba histolytica hypothetical protein 0.0028 0.0075 0.0227
Echinococcus granulosus raf serine:threonine protein kinase 0.0065 0.113 0.113
Brugia malayi protein kinase C II. 0.0278 0.7284 1
Brugia malayi Hr1 repeat family protein 0.0071 0.1317 0.1808
Onchocerca volvulus 0.0072 0.1342 0.127
Plasmodium vivax importin-beta 2, putative 0.0035 0.0266 0.515
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0067 0.1188 0.1188
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0071 0.1317 0.1317
Brugia malayi Protein kinase domain containing protein 0.0071 0.1317 0.1808
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0185 0.4613 0.6334
Loa Loa (eye worm) AGC/NDR protein kinase 0.0071 0.1317 0.1317
Echinococcus granulosus guanine nucleotide exchange factor VAV2 0.0065 0.113 0.113
Schistosoma mansoni diacylglycerol kinase theta 0.0065 0.113 0.113
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0071 0.1317 0.1317
Loa Loa (eye worm) hypothetical protein 0.0218 0.5569 0.5569
Schistosoma mansoni serine/threonine protein kinase 0.0071 0.1317 0.1317
Schistosoma mansoni rac gtpase activating protein 0.0065 0.113 0.113
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0516 0.36
Loa Loa (eye worm) hypothetical protein 0.0065 0.113 0.113
Brugia malayi RNA, U transporter 1 0.0099 0.2121 0.2911
Loa Loa (eye worm) hypothetical protein 0.0269 0.7027 0.7027
Trichomonas vaginalis AGC family protein kinase 0.0075 0.1433 1
Echinococcus granulosus serine:threonine protein kinase N2 0.0136 0.32 0.32
Schistosoma mansoni serine/threonine protein kinase 0.0071 0.1317 0.1317
Loa Loa (eye worm) AGC/AKT protein kinase 0.0075 0.1433 0.1433
Echinococcus multilocularis unc 13 (munc13) 0.0072 0.1342 0.1342
Schistosoma mansoni hypothetical protein 0.0065 0.113 0.113
Echinococcus multilocularis protein kinase c eta type 0.0065 0.113 0.113
Echinococcus granulosus Protein kinase C brain isozyme 0.0297 0.7838 0.7838
Onchocerca volvulus 0.0187 0.4672 0.6383
Schistosoma mansoni importin beta-1 0.0035 0.0266 0.0266
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0516 1
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0185 0.4613 0.4613
Brugia malayi Protein kinase c protein 2 0.0228 0.5838 0.8015
Echinococcus granulosus protein kinase c epsilon type 0.0278 0.7284 0.7284
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0065 0.113 0.113
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0516 1
Echinococcus granulosus RNA directed DNA polymerase 0.0154 0.3698 0.3698
Loa Loa (eye worm) hypothetical protein 0.0065 0.113 0.113
Echinococcus granulosus unc 13 munc13 0.0072 0.1342 0.1342
Echinococcus granulosus serine:threonine protein kinase N2 0.0071 0.1317 0.1317
Trichomonas vaginalis AGC family protein kinase 0.0075 0.1433 1
Echinococcus granulosus importin subunit beta 1 0.0035 0.0266 0.0266
Brugia malayi Importin beta-1 subunit 0.0035 0.0266 0.0365
Loa Loa (eye worm) hypothetical protein 0.0269 0.7027 0.7027
Loa Loa (eye worm) beta-lactamase 0.0043 0.0516 0.0516
Brugia malayi Protein kinase domain containing protein 0.0067 0.1188 0.163
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0072 0.1342 0.1342
Echinococcus multilocularis serine:threonine protein kinase N2 0.0071 0.1317 0.1317
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0516 0.0708
Trichomonas vaginalis AGC family protein kinase 0.0075 0.1433 1
Brugia malayi diacylglycerol kinase 0.0065 0.113 0.1552
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0516 0.36
Loa Loa (eye worm) hypothetical protein 0.0065 0.113 0.113
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0516 0.5
Entamoeba histolytica PH domain containing protein kinase, putative 0.014 0.3316 1
Loa Loa (eye worm) hypothetical protein 0.0187 0.4672 0.4672
Loa Loa (eye worm) hypothetical protein 0.0065 0.113 0.113
Entamoeba histolytica hypothetical protein 0.0065 0.113 0.3409
Brugia malayi RhoGAP domain containing protein 0.0065 0.113 0.1552
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0516 1
Loa Loa (eye worm) hypothetical protein 0.034 0.9084 0.9084
Trichomonas vaginalis esterase, putative 0.0043 0.0516 0.36
Trichomonas vaginalis AGC family protein kinase 0.0075 0.1433 1
Schistosoma mansoni serine/threonine protein kinase 0.0297 0.7838 0.7838
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0071 0.1317 0.1317
Schistosoma mansoni serine/threonine protein kinase 0.0067 0.1188 0.1188
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0065 0.113 0.113
Brugia malayi beta-lactamase 0.0043 0.0516 0.0708
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0516 0.5
Trichomonas vaginalis AGC family protein kinase 0.0075 0.1433 1
Mycobacterium leprae Probable lipase LipE 0.0043 0.0516 0.5
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.0065 0.113 0.113
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0071 0.1317 0.1317
Schistosoma mansoni serine/threonine protein kinase 0.0067 0.1188 0.1188
Toxoplasma gondii diacylglycerol kinase, putative 0.0065 0.113 0.8582
Toxoplasma gondii AGC kinase 0.0071 0.1317 1
Loa Loa (eye worm) Ras association domain family 1 isoform A 0.0065 0.113 0.113
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0067 0.1188 0.1188
Loa Loa (eye worm) raf kinase 0.0065 0.113 0.113
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.3425 0.3425
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0071 0.1317 0.1317
Echinococcus granulosus protein kinase c iota type 0.0136 0.3188 0.3188
Brugia malayi p70 ribosomal S6 kinase beta 0.0071 0.1317 0.1808
Onchocerca volvulus 0.0183 0.4556 0.6206
Loa Loa (eye worm) hypothetical protein 0.0334 0.8898 0.8898
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0278 0.7284 0.7284
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0516 0.0516
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0075 0.0526
Brugia malayi C1-like domain containing protein 0.0185 0.4613 0.6334
Schistosoma mansoni serine/threonine protein kinase 0.0071 0.1317 0.1317
Echinococcus multilocularis protein kinase c epsilon type 0.0278 0.7284 0.7284
Echinococcus multilocularis serine:threonine protein kinase 38 0.0071 0.1317 0.1317
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0266 0.1854
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0071 0.1317 0.1317
Echinococcus multilocularis RNA directed DNA polymerase 0.0154 0.3698 0.3698
Brugia malayi RhoGEF domain containing protein 0.0065 0.113 0.1552
Schistosoma mansoni protein kinase C mu 0.0065 0.113 0.113
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0071 0.1317 0.1317
Echinococcus granulosus Diacylglycerol kinase theta 0.0065 0.113 0.113
Loa Loa (eye worm) hypothetical protein 0.0043 0.0516 0.0516
Loa Loa (eye worm) hypothetical protein 0.0043 0.0516 0.0516
Echinococcus multilocularis raf serine:threonine protein kinase 0.0065 0.113 0.113
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0266 0.2017
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0516 0.36
Loa Loa (eye worm) AGC/PKN protein kinase 0.0071 0.1317 0.1317
Brugia malayi RhoGAP domain containing protein 0.0065 0.113 0.1552
Trichomonas vaginalis AGC family protein kinase 0.0075 0.1433 1
Schistosoma mansoni atypical protein kinase C 0.0136 0.3188 0.3188
Schistosoma mansoni serine/threonine kinase 0.0071 0.1317 0.1317
Schistosoma mansoni vav2 0.0069 0.1246 0.1246
Entamoeba histolytica diacylglycerol kinase, putative 0.0065 0.113 0.3409
Echinococcus multilocularis serine:threonine protein kinase N2 0.0206 0.5201 0.5201
Echinococcus multilocularis myotubularin protein 13 0.0069 0.1246 0.1246
Brugia malayi diacylglycerol kinase 0.0065 0.113 0.1552
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0154 0.3698 0.3698
Entamoeba histolytica diacylglycerol kinase, putative 0.0065 0.113 0.3409
Trypanosoma brucei rac serine-threonine kinase, putative 0.0075 0.1433 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0516 0.0516
Leishmania major importin beta-1 subunit, putative 0.0028 0.0075 0.1461
Echinococcus multilocularis Diacylglycerol kinase theta 0.0065 0.113 0.113
Trichomonas vaginalis AGC family protein kinase 0.0071 0.1317 0.9194
Loa Loa (eye worm) hypothetical protein 0.0119 0.2685 0.2685
Loa Loa (eye worm) hypothetical protein 0.0043 0.0516 0.0516
Loa Loa (eye worm) RhoGAP domain-containing protein 0.0065 0.113 0.113
Loa Loa (eye worm) hypothetical protein 0.0065 0.113 0.113
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0516 0.0516
Echinococcus multilocularis N chimaerin 0.0065 0.113 0.113
Schistosoma mansoni serine/threonine protein kinase 0.0278 0.7284 0.7284
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0266 0.1854
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0067 0.1188 0.1188
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.3425 0.3425
Echinococcus multilocularis Rac GTPase activating protein 1 0.0065 0.113 0.113
Brugia malayi Variant SH3 domain containing protein 0.0065 0.113 0.1552
Echinococcus granulosus NDR protein kinase 0.0071 0.1317 0.1317
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0516 0.0516
Loa Loa (eye worm) RasGEF domain-containing protein 0.0065 0.113 0.113
Echinococcus multilocularis protein kinase c iota type 0.0136 0.3188 0.3188
Loa Loa (eye worm) hypothetical protein 0.0183 0.4556 0.4556
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0516 0.5
Trichomonas vaginalis AGC family protein kinase 0.0071 0.1317 0.9194
Entamoeba histolytica protein kinase, putative 0.0075 0.1433 0.4321
Brugia malayi protein kinase C3,putative 0.0067 0.1188 0.163
Loa Loa (eye worm) hypothetical protein 0.0069 0.1246 0.1246
Entamoeba histolytica protein kinase, putative 0.0071 0.1317 0.3973
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0075 0.0526
Plasmodium falciparum importin beta, putative 0.0035 0.0266 1
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0071 0.1317 0.1317
Loa Loa (eye worm) hypothetical protein 0.0269 0.7027 0.7027
Entamoeba histolytica protein kinase, putative 0.0075 0.1433 0.4321
Entamoeba histolytica protein kinase, putative 0.0071 0.1317 0.3973
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0071 0.1317 0.1317
Trichomonas vaginalis AGC family protein kinase 0.0071 0.1317 0.9194
Loa Loa (eye worm) hypothetical protein 0.0065 0.113 0.113
Loa Loa (eye worm) hypothetical protein 0.0072 0.1342 0.1342
Schistosoma mansoni serine/threonine protein kinase 0.0065 0.113 0.113

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 7.079457844 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) 0.7943 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) 2.3109 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] 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) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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