Detailed information for compound 1396210

Basic information

Technical information
  • TDR Targets ID: 1396210
  • Name: 2-[(4-butoxy-3-nitrophenyl)methyl-(2-hydroxye thyl)amino]ethanol hydrochloride
  • MW: 348.822 | Formula: C15H25ClN2O5
  • H donors: 2 H acceptors: 4 LogP: 2.24 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCOc1ccc(cc1[N+](=O)[O-])CN(CCO)CCO.Cl
  • InChi: 1S/C15H24N2O5.ClH/c1-2-3-10-22-15-5-4-13(11-14(15)17(20)21)12-16(6-8-18)7-9-19;/h4-5,11,18-19H,2-3,6-10,12H2,1H3;1H
  • InChiKey: WUYMJRPGFBPLHA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(4-butoxy-3-nitro-phenyl)methyl-(2-hydroxyethyl)amino]ethanol hydrochloride
  • 2-[(4-butoxy-3-nitro-benzyl)-(2-hydroxyethyl)amino]ethanol hydrochloride
  • 77905-48-7
  • 2-[(4-Butoxy-3-nitro-benzyl)-(2-hydroxy-ethyl)-amino]-ethanol
  • MLS000587383
  • SMR000211433
  • 2,2'-((4-Butoxy-3-nitrobenzyl)imino)diethanol hydrochloride
  • 4-Butoxy-3-nitrobenzyl-bis(2-hydroxyethyl)amine hydrochloride
  • Ethanol, 2,2'-((4-butoxy-3-nitrobenzyl)imino)di-, hydrochloride

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens breast cancer 1, early onset Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 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
Trichomonas vaginalis ap 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
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum 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
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
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
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
Leishmania donovani 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
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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 GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
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 Peroxidase homolog 0.004 0.0353 0.0331
Brugia malayi TAR-binding protein 0.0065 0.0741 0.0745
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.034 0.5045 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0088 0.5
Brugia malayi nuclear hormone receptor 0.0637 0.9676 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0057 0.0043
Loa Loa (eye worm) hypothetical protein 0.004 0.0353 0.0349
Schistosoma mansoni inositol monophosphatase 0.0038 0.0321 0.0595
Onchocerca volvulus Peroxidasin homolog 0.004 0.0353 0.0331
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0039 0.0346 0.0342
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0088 0.013
Brugia malayi Nuclear hormone receptor-like 1 0.0039 0.0346 0.0335
Mycobacterium ulcerans hypothetical protein 0.0024 0.0111 0.3118
Loa Loa (eye worm) hypothetical protein 0.0019 0.0023 0.0007
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0088 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0039 0.0346 0.0644
Onchocerca volvulus 0.004 0.0353 0.0331
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0039 0.0346 0.0335
Loa Loa (eye worm) hypothetical protein 0.004 0.0353 0.0349
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0039 0.0346 0.0644
Loa Loa (eye worm) hypothetical protein 0.0039 0.0346 0.0342
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0111 0.098
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0146 0.2015 0.3966
Brugia malayi Inositol-1 0.0038 0.0321 0.0309
Loa Loa (eye worm) hypothetical protein 0.0021 0.0057 0.0043
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.0741 0.0751
Loa Loa (eye worm) hypothetical protein 0.0019 0.0023 0.0007
Brugia malayi hypothetical protein 0.004 0.0353 0.0342
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0039 0.0346 0.0342
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0321 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0741 0.1431
Loa Loa (eye worm) RNA binding protein 0.0065 0.0741 0.0751
Schistosoma mansoni hypothetical protein 0.0019 0.0031 0.0016
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0321 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0057 0.0043
Schistosoma mansoni hypothetical protein 0.0019 0.0031 0.0016
Loa Loa (eye worm) hypothetical protein 0.004 0.0353 0.0349
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0057 0.0036
Brugia malayi hypothetical protein 0.0021 0.0057 0.0036
Brugia malayi nuclear hormone receptor 0.0039 0.0346 0.0335
Onchocerca volvulus Dual oxidase homolog 0.004 0.0353 0.0331
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0039 0.0346 0.0644
Loa Loa (eye worm) hypothetical protein 0.0019 0.0023 0.0007
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0741 0.1431
Brugia malayi Peroxidasin 0.004 0.0353 0.0342
Brugia malayi photoreceptor-specific nuclear receptor 0.0039 0.0346 0.0335
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0038 0.0321 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0088 0.013
Schistosoma mansoni retinoic acid receptor RXR 0.0167 0.2338 0.4611
Brugia malayi Steroid receptor seven-up type 2 0.0039 0.0346 0.0335
Loa Loa (eye worm) hypothetical protein 0.004 0.0353 0.0349
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0021 0.0057 0.0043
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0595 0.1141
Loa Loa (eye worm) hypothetical protein 0.004 0.0353 0.0349
Loa Loa (eye worm) animal heme peroxidase 0.004 0.0353 0.0349
Schistosoma mansoni hypothetical protein 0.0205 0.2926 0.5781
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0111 0.4266
Schistosoma mansoni hypothetical protein 0.0041 0.0376 0.0703
Echinococcus granulosus GPCR family 2 0.0019 0.0031 0.0016
Echinococcus granulosus peroxidasin 0.004 0.0353 0.0657
Loa Loa (eye worm) hypothetical protein 0.0039 0.0346 0.0342
Brugia malayi Blistered cuticle protein 3 0.004 0.0353 0.0342
Brugia malayi Animal haem peroxidase family protein 0.004 0.0353 0.0342
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0376 0.0366
Loa Loa (eye worm) nuclear receptor NHR-67 0.0019 0.0023 0.0007
Loa Loa (eye worm) hypothetical protein 0.004 0.0353 0.0349
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0039 0.0346 0.0335
Schistosoma mansoni hypothetical protein 0.0019 0.0031 0.0016
Loa Loa (eye worm) DR-78 0.0019 0.0023 0.0007
Echinococcus multilocularis thyroid hormone receptor alpha 0.0039 0.0346 0.0644
Schistosoma mansoni hypothetical protein 0.0205 0.2926 0.5781
Brugia malayi nuclear receptor RXR 0.0021 0.0057 0.0036
Loa Loa (eye worm) protein-tyrosine phosphatase 0.034 0.5045 0.5206
Onchocerca volvulus Chorion peroxidase homolog 0.004 0.0353 0.0331
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0039 0.0346 0.0335
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0039 0.0346 0.0335
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.0321 0.0595
Loa Loa (eye worm) hypothetical protein 0.006 0.0673 0.068
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0039 0.0346 0.0342
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.034 0.5045 1
Schistosoma mansoni peroxidasin 0.004 0.0353 0.0657
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0088 0.0068
Onchocerca volvulus 0.0024 0.0111 0.0088
Schistosoma mansoni coup transcription factor 0.0039 0.0346 0.0644
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0111 0.098
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0021 0.0057 0.0069
Loa Loa (eye worm) hypothetical protein 0.0039 0.0346 0.0342
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0039 0.0346 0.0335
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0111 0.3118
Onchocerca volvulus Peroxidasin homolog 0.004 0.0353 0.0331
Loa Loa (eye worm) hypothetical protein 0.0021 0.0057 0.0043
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0039 0.0346 0.0342
Schistosoma mansoni nuclear hormone receptor 0.0039 0.0346 0.0644
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0039 0.0346 0.0644
Loa Loa (eye worm) hypothetical protein 0.0019 0.0023 0.0007
Onchocerca volvulus Bile acid receptor homolog 0.0039 0.0346 0.0324
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0321 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0039 0.0346 0.0342
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0034 0.026 1
Loa Loa (eye worm) animal heme peroxidase 0.004 0.0353 0.0349
Brugia malayi Animal haem peroxidase family protein 0.004 0.0353 0.0342
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0031 0.0016
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0039 0.0346 0.0644
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0595 0.1141
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0039 0.0346 0.0335
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0595 0.1141
Brugia malayi hypothetical protein 0.0021 0.0057 0.0036
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0039 0.0346 0.0342
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0039 0.0346 0.0335
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0039 0.0346 0.0342
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0039 0.0346 0.0644
Loa Loa (eye worm) hypothetical protein 0.004 0.0353 0.0349
Loa Loa (eye worm) hypothetical protein 0.0024 0.0111 0.0099
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0088 0.3385
Loa Loa (eye worm) hypothetical protein 0.0019 0.0023 0.0007
Echinococcus multilocularis peroxidasin 0.004 0.0353 0.0657
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0088 0.2371
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0741 0.1431
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0038 0.0321 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0741 0.1431
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0031 0.0008
Echinococcus multilocularis tar DNA binding protein 0.0065 0.0741 0.1431
Echinococcus multilocularis geminin 0.0205 0.2926 0.5781
Trichomonas vaginalis inositol monophosphatase, putative 0.0038 0.0321 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0039 0.0346 0.0644
Loa Loa (eye worm) hypothetical protein 0.0019 0.0031 0.0016
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0111 0.0091
Loa Loa (eye worm) hypothetical protein 0.004 0.0353 0.0349
Loa Loa (eye worm) hypothetical protein 0.0024 0.0111 0.0099
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0167 0.2338 0.4611
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0039 0.0346 0.0644
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0057 0.0036
Onchocerca volvulus 0.004 0.0353 0.0331
Schistosoma mansoni peroxidasin 0.004 0.0353 0.0657
Schistosoma mansoni ap endonuclease 0.0023 0.0088 0.013
Loa Loa (eye worm) animal heme peroxidase 0.004 0.0353 0.0349
Brugia malayi Protein-tyrosine phosphatase containing protein 0.034 0.5045 0.5203
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0039 0.0346 0.0335
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0031 0.0016
Schistosoma mansoni hypothetical protein 0.0019 0.0031 0.0016
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0111 0.0091
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0039 0.0346 0.0644
Loa Loa (eye worm) hypothetical protein 0.0039 0.0346 0.0342
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0039 0.0346 0.0335
Onchocerca volvulus 0.0039 0.0346 0.0324
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0015 0.5
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0321 1
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0111 0.0091
Loa Loa (eye worm) inositol-1 0.0038 0.0321 0.0317
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0039 0.0346 0.0644
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0111 0.098
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0673 0.0674
Echinococcus multilocularis FTZ F1 alpha 0.0039 0.0346 0.0644
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0057 0.0069
Schistosoma mansoni ap endonuclease 0.0023 0.0088 0.013
Loa Loa (eye worm) hypothetical protein 0.0019 0.0023 0.0007
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0741 0.1431
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.034 0.5045 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0595 0.1141
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0595 0.06
Echinococcus granulosus geminin 0.0205 0.2926 0.5781
Loa Loa (eye worm) hypothetical protein 0.0039 0.0346 0.0342
Loa Loa (eye worm) hypothetical protein 0.0041 0.0376 0.0373
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0038 0.0321 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0088 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0021 0.0057 0.0069
Brugia malayi Animal haem peroxidase family protein 0.004 0.0353 0.0342
Brugia malayi Animal haem peroxidase family protein 0.004 0.0353 0.0342
Loa Loa (eye worm) hypothetical protein 0.004 0.0353 0.0349
Brugia malayi Animal haem peroxidase family protein 0.004 0.0353 0.0342
Brugia malayi steroid hormone receptor 0.0039 0.0346 0.0335
Loa Loa (eye worm) hypothetical protein 0.004 0.0353 0.0349
Schistosoma mansoni steroid hormone receptor ad4bp 0.0039 0.0346 0.0644
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0039 0.0346 0.0335
Schistosoma mansoni thyroid hormone receptor 0.0039 0.0346 0.0644
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0039 0.0346 0.0644
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0673 0.068
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0595 0.1141
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0111 0.3118
Loa Loa (eye worm) TAR-binding protein 0.0065 0.0741 0.0751
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0321 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0111 0.4266
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0111 0.3118
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0038 0.0321 1
Brugia malayi nuclear receptor NHR-88 0.0039 0.0346 0.0335
Loa Loa (eye worm) hypothetical protein 0.0039 0.0346 0.0342
Loa Loa (eye worm) hypothetical protein 0.004 0.0353 0.0349
Loa Loa (eye worm) blistered cuticle protein 3 0.004 0.0353 0.0349
Loa Loa (eye worm) hypothetical protein 0.0619 0.9387 0.9701
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0111 0.3118
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0039 0.0346 0.0335
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0111 0.3118
Schistosoma mansoni inositol monophosphatase 0.0038 0.0321 0.0595
Loa Loa (eye worm) hypothetical protein 0.004 0.0353 0.0349
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0031 0.0008
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0321 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0353 0.0349
Loa Loa (eye worm) hypothetical protein 0.0019 0.0023 0.0007
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0039 0.0346 0.0335
Brugia malayi RNA binding protein 0.0065 0.0741 0.0745
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0111 0.3118
Loa Loa (eye worm) steroid hormone receptor 0.0039 0.0346 0.0342
Loa Loa (eye worm) hypothetical protein 0.0019 0.0023 0.0007
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0111 0.098
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0039 0.0346 0.0335
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0595 0.1141
Loa Loa (eye worm) hypothetical protein 0.0024 0.0111 0.0099
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0015 0.0593
Loa Loa (eye worm) hypothetical protein 0.0019 0.0023 0.0007
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0039 0.0346 0.0644
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0034 0.026 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0039 0.0346 0.0644
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0039 0.0346 0.0644
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0088 0.0075
Echinococcus granulosus ecdysone induced protein 78C 0.0039 0.0346 0.0644
Schistosoma mansoni thyroid hormone receptor 0.0039 0.0346 0.0644
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0039 0.0346 0.0644
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0031 0.0016
Loa Loa (eye worm) hypothetical protein 0.004 0.0353 0.0349
Onchocerca volvulus Peroxidase homolog 0.004 0.0353 0.0331
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0021 0.0057 0.0069
Loa Loa (eye worm) animal heme peroxidase 0.004 0.0353 0.0349
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0673 0.0674
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0039 0.0346 0.0644
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.0321 0.0595
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0111 0.098
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0595 0.0593
Loa Loa (eye worm) hypothetical protein 0.0039 0.0346 0.0342
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0031 0.0016
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0039 0.0346 0.0644
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0111 0.098
Echinococcus granulosus tar DNA binding protein 0.0065 0.0741 0.1431
Loa Loa (eye worm) hypothetical protein 0.0019 0.0023 0.0007
Loa Loa (eye worm) hypothetical protein 0.0021 0.0057 0.0043
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0039 0.0346 0.0644
Schistosoma mansoni RAR-like nuclear receptor 0.0039 0.0346 0.0644
Onchocerca volvulus 0.004 0.0353 0.0331
Brugia malayi ecdysteroid receptor 0.0039 0.0346 0.0335
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0111 0.3118
Loa Loa (eye worm) hypothetical protein 0.0019 0.0023 0.0007
Onchocerca volvulus Protein ultraspiracle homolog 0.0039 0.0346 0.0324
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0031 0.0016
Echinococcus granulosus FTZ F1 alpha 0.0039 0.0346 0.0644
Loa Loa (eye worm) hypothetical protein 0.0019 0.0023 0.0007
Loa Loa (eye worm) hypothetical protein 0.0039 0.0346 0.0342
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0637 0.9676 1
Loa Loa (eye worm) nuclear hormone receptor 0.0019 0.0023 0.0007
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0088 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.0039 0.0346 0.0644
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0595 0.1141
Echinococcus multilocularis GPCR, family 2 0.0019 0.0031 0.0016
Loa Loa (eye worm) hypothetical protein 0.0019 0.0023 0.0007
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.0741 0.0745

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2512 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.5929 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) 3.9811 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.1095 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) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 11.2202 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) 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) 12.5893 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 26.8545 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 37.6505 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (binding) = 39.8107 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

No literature references available for this target.

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