Detailed information for compound 1358961

Basic information

Technical information
  • TDR Targets ID: 1358961
  • Name: 3-[2-[2-(acetyl-phenylamino)ethenyl]-5,6-dich loro-3-ethylbenzimidazol-1-ium-1-yl]propane-1 -sulfonate
  • MW: 496.407 | Formula: C22H23Cl2N3O4S
  • H donors: 1 H acceptors: 4 LogP: 3.68 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1c2cc(Cl)c(cc2[n+](c1/C=C/N(c1ccccc1)C(=O)C)CCCS(=O)(=O)[O-])Cl
  • InChi: 1S/C22H23Cl2N3O4S/c1-3-25-20-14-18(23)19(24)15-21(20)27(11-7-13-32(29,30)31)22(25)10-12-26(16(2)28)17-8-5-4-6-9-17/h4-6,8-10,12,14-15H,3,7,11,13H2,1-2H3
  • InChiKey: XWBJOIPCYVSAQD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[2-[(E)-2-(acetyl-phenylamino)ethenyl]-5,6-dichloro-3-ethylbenzimidazol-1-ium-1-yl]propane-1-sulfonate
  • 3-[2-[(E)-2-(acetyl-phenyl-amino)vinyl]-5,6-dichloro-3-ethyl-benzimidazol-1-ium-1-yl]propane-1-sulfonate
  • 3-[2-[2-(acetyl-phenyl-amino)vinyl]-5,6-dichloro-3-ethyl-benzimidazol-1-ium-1-yl]propane-1-sulfonate
  • 3-[2-[(E)-2-(acetyl-phenylamino)vinyl]-5,6-dichloro-3-ethyl-1-benzimidazol-1-iumyl]propane-1-sulfonate
  • 3-[2-[2-(acetyl-phenylamino)vinyl]-5,6-dichloro-3-ethyl-1-benzimidazol-1-iumyl]propane-1-sulfonate
  • 3-[5,6-dichloro-2-[(E)-2-(ethanoyl-phenyl-amino)ethenyl]-3-ethyl-benzimidazol-1-ium-1-yl]propane-1-sulfonate
  • 3-[5,6-dichloro-2-[2-(ethanoyl-phenyl-amino)ethenyl]-3-ethyl-benzimidazol-1-ium-1-yl]propane-1-sulfonate
  • BAS 00263188
  • MLS000692850
  • SMR000285585

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus intermediate filament protein 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
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 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus Protein ultraspiracle homolog 0.0071 0.069 0.3102
Brugia malayi hypothetical protein 0.0158 0.1781 0.2539
Loa Loa (eye worm) hypothetical protein 0.0228 0.2672 0.3809
Echinococcus multilocularis Ankyrin 0.0042 0.033 0.1143
Brugia malayi Protein kinase domain containing protein 0.0042 0.0326 0.0464
Loa Loa (eye worm) hypothetical protein 0.0033 0.0218 0.0311
Schistosoma mansoni single-minded 0.0047 0.0388 0.0879
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0082 0.1438
Schistosoma mansoni ankyrin 23/unc44 0.0042 0.0326 0.0738
Schistosoma mansoni RAR-like nuclear receptor 0.0071 0.069 0.1563
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0572 1
Onchocerca volvulus Bile acid receptor homolog 0.0071 0.069 0.3102
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0042 0.0326 0.1128
Mycobacterium ulcerans putative regulatory protein 0.0035 0.0234 0.0153
Echinococcus granulosus jun protein 0.0246 0.2889 1
Brugia malayi conserved hypotetical protein 0.0033 0.0218 0.0311
Loa Loa (eye worm) hypothetical protein 0.0033 0.0218 0.0311
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0038 0.0268 0.0929
Onchocerca volvulus 0.0033 0.0218 0.098
Brugia malayi small heat shock protein 0.0574 0.7017 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0033 0.0218 0.098
Brugia malayi tailless protein 0.0033 0.0218 0.0311
Brugia malayi hypothetical protein 0.0038 0.0268 0.0383
Echinococcus multilocularis thyroid hormone receptor alpha 0.0071 0.069 0.2389
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0071 0.069 0.0984
Onchocerca volvulus 0.0033 0.0218 0.098
Echinococcus granulosus survival motor neuron protein 1 0.0228 0.2672 0.9251
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0572 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0033 0.0218 0.098
Brugia malayi bHLH-PAS transcription factor 0.0035 0.0234 0.0334
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0033 0.0218 0.0754
Brugia malayi Nuclear hormone receptor-like 1 0.0038 0.0268 0.0383
Schistosoma mansoni hypothetical protein 0.02 0.2309 0.5232
Loa Loa (eye worm) hypothetical protein 0.0033 0.0218 0.0311
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0166 0.1889 0.6539
Loa Loa (eye worm) hypothetical protein 0.0033 0.0206 0.0294
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0071 0.069 0.2389
Brugia malayi hypothetical protein 0.0033 0.0218 0.0311
Echinococcus multilocularis lamin dm0 0.0033 0.0206 0.0714
Brugia malayi Death domain containing protein 0.0042 0.0326 0.0464
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0033 0.0218 0.0311
Echinococcus multilocularis ecdysone induced protein 78C 0.0071 0.069 0.2389
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0033 0.0218 0.0494
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0403 0.0574
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0071 0.069 0.0984
Brugia malayi Nuclear hormone receptor-like 1 0.0038 0.0268 0.0383
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0033 0.0218 0.0754
Schistosoma mansoni nuclear hormone receptor 0.0033 0.0218 0.0494
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0572 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0572 1
Loa Loa (eye worm) DR-78 0.0033 0.0218 0.0311
Echinococcus multilocularis survival motor neuron protein 1 0.0228 0.2672 0.9251
Loa Loa (eye worm) hypothetical protein 0.0038 0.0268 0.0383
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0082 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.0268 0.0383
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0042 0.0326 0.0464
Echinococcus granulosus lamin dm0 0.0033 0.0206 0.0714
Loa Loa (eye worm) hypothetical protein 0.0038 0.0268 0.0383
Echinococcus granulosus ecdysone induced protein 78C 0.0071 0.069 0.2389
Brugia malayi nuclear receptor RXR 0.0038 0.0268 0.0383
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0071 0.069 0.2389
Schistosoma mansoni nuclear hormone receptor 0.0033 0.0218 0.0494
Schistosoma mansoni ap endonuclease 0.0023 0.0082 0.0186
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0071 0.069 0.0984
Echinococcus multilocularis FTZ F1 alpha 0.0071 0.069 0.2389
Trypanosoma cruzi cruzipain precursor, putative 0.0062 0.0572 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0071 0.069 0.1563
Loa Loa (eye worm) hypothetical protein 0.0071 0.069 0.0984
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0082 0.1438
Schistosoma mansoni nuclear receptor 0.0033 0.0218 0.0494
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0033 0.0218 0.0754
Brugia malayi hypoxia-induced factor 1 0.0145 0.1628 0.232
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0071 0.069 0.1563
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0492 0.0701
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0572 1
Toxoplasma gondii exonuclease III APE 0.0023 0.0082 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0038 0.0268 0.0929
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0082 0.0285
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0071 0.069 0.0984
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0082 0.0117
Brugia malayi ecdysone receptor 0.0033 0.0218 0.0311
Echinococcus multilocularis nuclear receptor nhr 48 0.0033 0.0218 0.0754
Loa Loa (eye worm) hypothetical protein 0.0239 0.2804 0.3996
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0206 0.0294
Onchocerca volvulus 0.0035 0.0234 0.1053
Brugia malayi nuclear hormone receptor family member odr-7 0.0033 0.0218 0.0311
Loa Loa (eye worm) hypothetical protein 0.0071 0.069 0.0984
Echinococcus granulosus FTZ F1 alpha 0.0071 0.069 0.2389
Brugia malayi hypothetical protein 0.0038 0.0268 0.0383
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0071 0.069 0.0984
Loa Loa (eye worm) hypothetical protein 0.0071 0.069 0.0984
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0038 0.0268 0.0608
Loa Loa (eye worm) hypothetical protein 0.0033 0.0218 0.0311
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0071 0.069 0.1563
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0492 0.1114
Trypanosoma cruzi major cysteine proteinase, putative 0.0048 0.0406 0.7098
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0071 0.069 0.1563
Brugia malayi bZIP transcription factor family protein 0.0246 0.2889 0.4117
Mycobacterium tuberculosis Proteasome alpha subunit PrcA; assembles with beta subunit PrcB. 0.081 1 1
Echinococcus multilocularis musashi 0.0033 0.0206 0.0714
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0071 0.069 0.3102
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0082 0.1438
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0071 0.069 0.0984
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0572 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.033 0.0471
Loa Loa (eye worm) hypothetical protein 0.0038 0.0268 0.0383
Brugia malayi nuclear receptor NHR-88 0.0033 0.0218 0.0311
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0071 0.069 0.1563
Brugia malayi steroid hormone receptor 0.0071 0.069 0.0984
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0071 0.069 0.0984
Loa Loa (eye worm) hypothetical protein 0.0038 0.0268 0.0383
Brugia malayi orphan nuclear receptor NR2E1 0.0033 0.0218 0.0311
Brugia malayi Nuclear hormone receptor E75 0.0033 0.0218 0.0311
Brugia malayi hypothetical protein 0.0228 0.2672 0.3809
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0038 0.0268 0.0608
Schistosoma mansoni thyroid hormone receptor 0.0071 0.069 0.1563
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0572 1
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0082 0.0117
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0403 0.0574
Onchocerca volvulus 0.0193 0.2225 1
Loa Loa (eye worm) nuclear hormone receptor 0.0033 0.0218 0.0311
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0492 0.0701
Brugia malayi Uncoordinated protein 44 0.0042 0.0326 0.0464
Loa Loa (eye worm) hypothetical protein 0.0042 0.0326 0.0464
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0492 0.1114
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0056 0.0505 0.8824
Mycobacterium ulcerans proteasome PrcA 0.081 1 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0211 0.03
Leishmania major cathepsin L-like protease 0.0062 0.0572 1
Onchocerca volvulus 0.0071 0.069 0.3102
Echinococcus granulosus Nuclear hormone receptor HR96 0.0033 0.0218 0.0754
Onchocerca volvulus 0.0033 0.0206 0.0928
Schistosoma mansoni ap endonuclease 0.0023 0.0082 0.0186
Brugia malayi ecdysteroid receptor 0.0071 0.069 0.0984
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0572 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0071 0.069 0.0984
Loa Loa (eye worm) hypothetical protein 0.0033 0.0218 0.0311
Onchocerca volvulus Netrin receptor homolog 0.0042 0.0326 0.1464
Echinococcus granulosus lamin 0.0033 0.0206 0.0714
Schistosoma mansoni aryl hydrocarbon receptor 0.0047 0.0388 0.0879
Loa Loa (eye worm) cytochrome P450 family protein 0.0044 0.0347 0.0494
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0246 0.2889 1
Echinococcus granulosus netrin receptor unc 5 0.0042 0.0326 0.1128
Echinococcus multilocularis jun protein 0.0246 0.2889 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0071 0.069 0.2389
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0082 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0071 0.069 0.0984
Schistosoma mansoni hypothetical protein 0.0047 0.0383 0.0868
Schistosoma mansoni netrin receptor unc5 0.0042 0.0326 0.0738
Loa Loa (eye worm) hypothetical protein 0.0033 0.0218 0.0311
Brugia malayi hypothetical protein 0.0033 0.0218 0.0311
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0206 0.0294
Leishmania major cathepsin L-like protease 0.0062 0.0572 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0071 0.069 0.0984
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0071 0.069 0.2389
Schistosoma mansoni zinc finger protein 0.0033 0.0218 0.0494
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0572 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.069 0.0984
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0211 0.03
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0016 0.0023
Brugia malayi Cytochrome P450 family protein 0.0044 0.0347 0.0494
Loa Loa (eye worm) hypothetical protein 0.0033 0.0218 0.0311
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0071 0.069 0.2389
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0492 0.1702
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0071 0.069 0.2389
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0572 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0033 0.0218 0.0754
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0572 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0071 0.069 0.0984
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0071 0.069 0.0984
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0082 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0071 0.069 0.2389
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0071 0.069 0.1563
Loa Loa (eye worm) hypothetical protein 0.0048 0.0403 0.0574
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0071 0.069 0.0984
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0082 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0492 0.1702
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0071 0.069 0.2389
Echinococcus granulosus death domain containing protein 0.0042 0.0326 0.1128
Schistosoma mansoni hypothetical protein 0.0033 0.0211 0.0478
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0071 0.069 0.2389
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0082 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0071 0.069 0.0984
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0071 0.069 0.2389
Loa Loa (eye worm) hypothetical protein 0.0071 0.069 0.0984
Loa Loa (eye worm) hypothetical protein 0.0033 0.0218 0.0311
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0572 1
Brugia malayi PAS domain containing protein 0.0047 0.0388 0.0553
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0033 0.0218 0.0754
Brugia malayi nuclear hormone receptor 0.0071 0.069 0.0984
Echinococcus granulosus thyroid hormone receptor alpha 0.0033 0.0218 0.0754
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0572 1
Loa Loa (eye worm) hypothetical protein 0.0158 0.1781 0.2539
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0071 0.069 0.0984
Schistosoma mansoni retinoic acid receptor RXR 0.0166 0.1889 0.4279
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0403 0.0574
Brugia malayi Immunoglobulin I-set domain containing protein 0.0042 0.0326 0.0464
Onchocerca volvulus 0.0047 0.0383 0.1721
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0492 0.1702
Echinococcus granulosus nuclear receptor nhr 48 0.0033 0.0218 0.0754
Brugia malayi intermediate filament protein 0.0033 0.0206 0.0294
Brugia malayi hypothetical protein 0.0193 0.2225 0.3171
Leishmania major cathepsin L-like protease 0.0062 0.0572 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0071 0.069 0.2389
Onchocerca volvulus 0.0033 0.0206 0.0928
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0071 0.069 0.0984
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0492 0.1114
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0082 0.5
Echinococcus granulosus intermediate filament protein 0.0033 0.0206 0.0714
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0082 1
Schistosoma mansoni nuclear hormone receptor 0.0071 0.069 0.1563
Schistosoma mansoni lamin 0.0033 0.0206 0.0467
Echinococcus granulosus Ankyrin 0.0042 0.033 0.1143
Schistosoma mansoni nuclear receptor 0.0033 0.0218 0.0494
Loa Loa (eye worm) hypothetical protein 0.0033 0.0218 0.0311
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0033 0.0218 0.0311
Brugia malayi Steroid receptor seven-up type 2 0.0071 0.069 0.0984
Loa Loa (eye worm) steroid hormone receptor 0.0071 0.069 0.0984
Loa Loa (eye worm) hypothetical protein 0.0033 0.0218 0.0311
Schistosoma mansoni coup transcription factor 0.0071 0.069 0.1563
Loa Loa (eye worm) hypothetical protein 0.0574 0.7017 1
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0215 0.2508 0.8683
Schistosoma mansoni thyroid hormone receptor 0.0071 0.069 0.1563
Brugia malayi nuclear hormone receptor family member nhr-6 0.0033 0.0218 0.0311
Loa Loa (eye worm) hypothetical protein 0.0033 0.0218 0.0311
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0071 0.069 0.2389
Schistosoma mansoni steroid hormone receptor ad4bp 0.0071 0.069 0.1563
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0071 0.069 0.0984
Loa Loa (eye worm) hypothetical protein 0.0032 0.0199 0.0283
Loa Loa (eye worm) hypoxia-induced factor 1 0.0145 0.1628 0.232
Brugia malayi Nuclear hormone receptor E75 0.0033 0.0218 0.0311
Echinococcus granulosus single minded 2 0.0035 0.0234 0.0811
Echinococcus granulosus nuclear factor of activated T cells 5 0.0215 0.2508 0.8683
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0246 0.2889 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0016 0.0023
Brugia malayi nuclear receptor RXR 0.0033 0.0218 0.0311
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0383 0.0546
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0042 0.033 0.0748
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0038 0.0268 0.0383
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0042 0.0326 0.1128
Loa Loa (eye worm) hypothetical protein 0.0033 0.0218 0.0311
Loa Loa (eye worm) nuclear receptor NHR-67 0.0033 0.0218 0.0311
Brugia malayi photoreceptor-specific nuclear receptor 0.0071 0.069 0.0984
Loa Loa (eye worm) hypothetical protein 0.0071 0.069 0.0984
Schistosoma mansoni lamin 0.0033 0.0206 0.0467
Brugia malayi Nuclear hormone receptor-like 1 0.0071 0.069 0.0984
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0129 0.1417 0.4905
Loa Loa (eye worm) hypothetical protein 0.0071 0.069 0.0984
Schistosoma mansoni intermediate filament proteins 0.0033 0.0206 0.0467
Brugia malayi nuclear hormone receptor 0.0033 0.0218 0.0311
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0071 0.069 0.0984
Schistosoma mansoni nuclear receptor nhr-48 0.0033 0.0218 0.0494
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0367 0.4414 1
Echinococcus multilocularis transfer RNA-Lys 0.0035 0.0234 0.0811
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0572 1
Echinococcus multilocularis lamin 0.0033 0.0206 0.0714
Brugia malayi nuclear receptor NHR-88 0.0071 0.069 0.0984
Echinococcus granulosus Nuclear hormone receptor HR96 0.0033 0.0218 0.0754
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0206 0.0294
Schistosoma mansoni jun-related protein 0.02 0.2309 0.5232
Schistosoma mansoni survival motor neuron protein 0.0047 0.0383 0.0868
Echinococcus multilocularis netrin receptor unc 5 0.0042 0.0326 0.1128
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0071 0.069 0.0984
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0071 0.069 0.0984
Loa Loa (eye worm) hypothetical protein 0.0033 0.0218 0.0311
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0082 1
Brugia malayi nuclear receptor NHR-67 0.0033 0.0218 0.0311
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0492 0.1702
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0082 0.0285
Schistosoma mansoni hypothetical protein 0.0042 0.0326 0.0738
Loa Loa (eye worm) hypothetical protein 0.0071 0.069 0.0984
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0033 0.0218 0.0754

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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