Detailed information for compound 1341121

Basic information

Technical information
  • TDR Targets ID: 1341121
  • Name: N-cyclopropyl-2-[[2-(3,4-dimethylphenoxy)acet yl]amino]benzamide
  • MW: 338.4 | Formula: C20H22N2O3
  • H donors: 2 H acceptors: 2 LogP: 3.91 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccccc1C(=O)NC1CC1)COc1ccc(c(c1)C)C
  • InChi: 1S/C20H22N2O3/c1-13-7-10-16(11-14(13)2)25-12-19(23)22-18-6-4-3-5-17(18)20(24)21-15-8-9-15/h3-7,10-11,15H,8-9,12H2,1-2H3,(H,21,24)(H,22,23)
  • InChiKey: SMERGJMULGYNNU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-cyclopropyl-2-[[2-(3,4-dimethylphenoxy)-1-oxoethyl]amino]benzamide
  • N-cyclopropyl-2-[2-(3,4-dimethylphenoxy)ethanoylamino]benzamide
  • ZINC07597036

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens synuclein, alpha (non A4 component of amyloid precursor) Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
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
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
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
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative 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
Echinococcus multilocularis guanine nucleotide binding protein G(s) 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
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
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 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
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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
Echinococcus multilocularis neuropeptide receptor A26 0.0121 1 1
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.1575 1
Onchocerca volvulus 0.0121 1 1
Echinococcus granulosus neuropeptide Y receptor 0.0121 1 1
Schistosoma mansoni myosin xvIII 0.0121 1 1
Schistosoma mansoni 60S ribosomal protein L21 0.0006 0.0099 0.0099
Loa Loa (eye worm) neuropeptide F receptor 0.0121 1 1
Echinococcus granulosus g protein coupled receptor 0.0121 1 1
Leishmania major DNA polymerase eta, putative 0.0023 0.1575 1
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.1575 0.1563
Echinococcus granulosus dna polymerase kappa 0.0023 0.1575 0.1563
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0007 0.0194 0.0347
Schistosoma mansoni voltage-gated potassium channel 0.0011 0.054 0.054
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0008 0.0233 0.022
Trypanosoma brucei chrX additional, unordered contigs 0.0007 0.0194 0.1155
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Echinococcus multilocularis hyperpolarization activated cyclic 0.0008 0.0233 0.022
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0121 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0007 0.0194 0.1155
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0121 1 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.5217 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0039 0.2912 0.2903
Trypanosoma cruzi hypothetical protein, conserved 0.0007 0.0194 0.1155
Trypanosoma brucei unspecified product 0.0016 0.0953 0.6019
Brugia malayi G-protein coupled receptor 0.0121 1 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.1575 0.5827
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0121 1 1
Brugia malayi Dopamine receptor protein 1 0.0121 1 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0121 1 1
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Trypanosoma cruzi DNA damage repair protein, putative 0.0007 0.0194 0.1155
Echinococcus granulosus g protein coupled receptor 0.0121 1 1
Echinococcus granulosus neuropeptide receptor 0.0121 1 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0248 0.0874
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0248 0.0874
Echinococcus granulosus rhodopsin orphan GPCR 0.0121 1 1
Brugia malayi neuropeptide F receptor 0.0121 1 1
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0313 0.03
Echinococcus granulosus orexin receptor type 2 0.0121 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1575 1
Schistosoma mansoni DNA polymerase IV / kappa 0.0007 0.0194 0.0194
Trichomonas vaginalis helicase, putative 0.0008 0.0248 0.0874
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0248 0.0874
Schistosoma mansoni cyclic nucleotide-gated ion channel 0.0005 0.0014 0.0014
Schistosoma mansoni hypothetical protein 0.0005 0.0014 0.0014
Schistosoma mansoni biogenic amine (5HT) receptor 0.0121 1 1
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Echinococcus granulosus g-protein coupled receptor 0.0121 1 1
Schistosoma mansoni amine GPCR 0.0121 1 1
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0121 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0121 1 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.1575 0.1575
Schistosoma mansoni camp-dependent protein kinase type I-beta regulatory subunit 0.0005 0.0014 0.0014
Onchocerca volvulus Neuropeptide F receptor homolog 0.0121 1 1
Treponema pallidum cyclic nucleotide binding protein 0.0005 0.0014 0.5
Echinococcus granulosus neuropeptides capa receptor 0.0121 1 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0005 0.0014 0.0014
Schistosoma mansoni neuropeptide receptor 0.0121 1 1
Echinococcus granulosus 7TM GPCR rhodopsin 0.0121 1 1
Schistosoma mansoni biogenic amine receptor 0.0121 1 1
Echinococcus multilocularis serotonin receptor 0.0121 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0248 0.0874
Onchocerca volvulus 0.0121 1 1
Schistosoma mansoni DNA polymerase eta 0.0023 0.1575 0.1575
Brugia malayi RE15519p 0.0121 1 1
Echinococcus multilocularis g protein coupled receptor 0.0121 1 1
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Brugia malayi sulfakinin receptor protein 0.0121 1 1
Schistosoma mansoni camp-dependent protein kinase type II regulatory subunit 0.0005 0.0014 0.0014
Onchocerca volvulus 0.0121 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0121 1 1
Echinococcus granulosus hyperpolarization activated cyclic 0.0008 0.0233 0.022
Schistosoma mansoni cpg binding protein 0.0035 0.2552 0.2552
Schistosoma mansoni serine/threonine protein kinase 0.0005 0.0014 0.0014
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0121 1 1
Echinococcus multilocularis g protein coupled receptor 0.0121 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0953 0.6019
Echinococcus multilocularis rhodopsin orphan GPCR 0.0121 1 1
Echinococcus multilocularis voltage gated potassium channel 0.0011 0.054 0.0527
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.1575 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0121 1 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.1575 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.1575 1
Brugia malayi GnHR receptor homolog 0.0121 1 1
Schistosoma mansoni neuropathy target esterase/swiss cheese-related protein 0.0005 0.0014 0.0014
Schistosoma mansoni voltage-gated potassium channel 0.0006 0.0099 0.0099
Loa Loa (eye worm) TYRA-2 protein 0.0121 1 1
Brugia malayi CXXC zinc finger family protein 0.0035 0.2552 0.2542
Brugia malayi hypothetical protein 0.0121 1 1
Echinococcus granulosus neuropeptides capa receptor 0.0121 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0121 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0121 1 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0248 0.0874
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0248 0.0874
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0121 1 1
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0121 1 1
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0121 1 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0008 0.0233 0.0233
Brugia malayi hypothetical protein 0.0121 1 1
Echinococcus multilocularis cpg binding protein 0.0037 0.2722 0.2712
Giardia lamblia DNA damage repair protein 0.0007 0.0194 0.1155
Schistosoma mansoni voltage-gated potassium channel 0.0042 0.3219 0.3219
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0121 1 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0121 1 1
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0007 0.0194 0.1155
Echinococcus granulosus G protein coupled receptor 139 0.0121 1 1
Echinococcus multilocularis G protein coupled receptor 139 0.0121 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0036 0.2693 1
Onchocerca volvulus 0.0035 0.2552 0.2542
Echinococcus multilocularis rhodopsin orphan GPCR 0.0121 1 1
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0008 0.0233 0.022
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0121 1 1
Treponema pallidum cyclic nucleotide binding protein 0.0005 0.0014 0.5
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0121 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0121 1 1
Schistosoma mansoni opsin-like receptor 0.0121 1 1
Echinococcus granulosus dna polymerase eta 0.0023 0.1575 0.1563
Brugia malayi AKH receptor 0.0121 1 1
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0121 1 1
Schistosoma mansoni alpha-1 adrenergic receptor 0.0121 1 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0008 0.0233 0.0233
Brugia malayi neuropeptide F receptor 0.0121 1 1
Schistosoma mansoni camp-dependent rap1 guanine-nucleotide exchange factor 0.0005 0.0014 0.0014
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.1575 1
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0313 0.03
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.4318 0.431
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0121 1 1
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0011 0.054 0.0527
Brugia malayi larval opioid receptor 0.0121 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.4318 0.4318
Schistosoma mansoni voltage-gated potassium channel 0.0042 0.3219 0.3219
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0121 1 1
Schistosoma mansoni biogenic amine receptor 0.0121 1 1
Schistosoma mansoni neuropeptide F-like receptor 0.0121 1 1
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0008 0.0233 0.022
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Schistosoma mansoni hypothetical protein 0.0121 1 1
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0005 0.0014 0.0014
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0008 0.0233 0.022
Schistosoma mansoni neuropeptide receptor 0.0121 1 1
Echinococcus multilocularis neuropeptide FF receptor 2 0.0121 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.1575 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1575 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0313 0.0313
Echinococcus multilocularis neuropeptide receptor 0.0121 1 1
Schistosoma mansoni adenoreceptor 0.0121 1 1
Echinococcus granulosus neuropeptide s receptor 0.0121 1 1
Trypanosoma cruzi DNA damage repair protein, putative 0.0007 0.0194 0.1155
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0121 1 1
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0008 0.0233 0.022
Echinococcus multilocularis rhodopsin orphan GPCR 0.0121 1 1
Echinococcus multilocularis neuropeptide receptor 0.0121 1 1
Echinococcus granulosus fmrfamide receptor 0.0121 1 1
Schistosoma mansoni amine GPCR 0.0121 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0008 0.0233 0.0233
Onchocerca volvulus 0.0121 1 1
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0007 0.0194 0.0347
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0953 0.6019
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.1575 1
Onchocerca volvulus 0.0121 1 1
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Brugia malayi hypothetical protein 0.0121 1 1
Echinococcus granulosus hyperpolarization activated cyclic 0.0008 0.0233 0.022
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0313 0.03
Echinococcus multilocularis neuropeptide Y receptor 0.0121 1 1
Schistosoma mansoni biogenic amine receptor 0.0121 1 1
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Brugia malayi ORL1-like opioid receptor 0.0121 1 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.1575 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0039 0.2912 0.2903
Trypanosoma brucei unspecified product 0.0023 0.1575 1
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0008 0.0233 0.022
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0248 0.0874
Schistosoma mansoni opsin-like receptor 0.0121 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.1575 1
Onchocerca volvulus 0.0121 1 1
Echinococcus multilocularis fmrfamide receptor 0.0121 1 1
Schistosoma mansoni amine GPCR 0.0121 1 1
Loa Loa (eye worm) G-protein coupled receptor 0.0121 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0248 0.0874
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0121 1 1
Brugia malayi hypothetical protein 0.0121 1 1
Mycobacterium leprae Conserved hypothetical protein 0.0005 0.0014 0.5
Echinococcus granulosus 7tm_1 domain containing protein 0.0121 1 1
Schistosoma mansoni opsin-like receptor 0.0121 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0121 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1575 1
Echinococcus multilocularis sex peptide receptor 0.0121 1 1
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0011 0.054 0.0527
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.1575 0.1563
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0121 1 1
Brugia malayi hypothetical protein 0.0121 1 1
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0483 0.047
Echinococcus multilocularis hyperpolarization activated cyclic 0.0008 0.0233 0.022
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.1575 0.1563
Schistosoma mansoni voltage-gated potassium channel 0.0011 0.054 0.054
Echinococcus multilocularis rhodopsin orphan GPCR 0.0121 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0121 1 1
Echinococcus multilocularis g protein coupled receptor 0.0121 1 1
Trypanosoma brucei DNA damage repair protein, putative 0.0007 0.0194 0.1155
Schistosoma mansoni growth hormone secretagogue receptor 0.0121 1 1
Mycobacterium ulcerans hypothetical protein 0.0007 0.0194 0.1155
Echinococcus granulosus sex peptide receptor 0.0121 1 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0008 0.0233 0.0233
Echinococcus granulosus rhodopsin orphan GPCR 0.0121 1 1
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0121 1 1
Echinococcus multilocularis fmrfamide receptor 0.0121 1 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0494 0.0481
Schistosoma mansoni cpg binding protein 0.0037 0.2722 0.2722
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0008 0.0233 0.022
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0008 0.0233 0.0233
Brugia malayi putative neuropeptide receptor 0.0121 1 1
Echinococcus granulosus neuropeptide receptor 0.0121 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0121 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.4318 0.431
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0494 0.0481
Echinococcus granulosus rhodopsin orphan GPCR 0.0121 1 1
Onchocerca volvulus 0.0121 1 1
Schistosoma mansoni hypothetical protein 0.0121 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0248 0.0874
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0008 0.0233 0.082
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Echinococcus granulosus alpha 1A adrenergic receptor 0.0121 1 1
Echinococcus multilocularis G-protein coupled receptor, putative 0.0121 1 1
Schistosoma mansoni amine GPCR 0.0121 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0248 0.0874
Schistosoma mansoni neuropeptide F-like receptor 0.0121 1 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0121 1 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0007 0.0194 0.0347
Echinococcus multilocularis orexin receptor type 2 0.0121 1 1
Schistosoma mansoni cpg binding protein 0.0037 0.2722 0.2722
Schistosoma mansoni camp-dependent protein kinase type II-alpha regulatory subunit 0.0005 0.0014 0.0014
Schistosoma mansoni hypothetical protein 0.0121 1 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0039 0.2912 0.2903
Brugia malayi Cyclic-nucleotide gated cation channel 0.0008 0.0233 0.022
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Schistosoma mansoni neuropathy target esterase/swiss cheese-related protein 0.0005 0.0014 0.0014
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0121 1 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.054 0.0527
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0121 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.1575 1
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0121 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0121 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0248 0.0874
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.0121 1 1
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0121 1 1
Brugia malayi polk-prov protein 0.0007 0.0194 0.0181
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.1575 0.1575
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0121 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0953 0.6019
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0121 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0121 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0007 0.0194 0.1155
Echinococcus multilocularis neuropeptides capa receptor 0.0121 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0005 0.0014 0.0014
Schistosoma mansoni neuropeptide f receptor 76f 0.0121 1 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0121 1 1
Brugia malayi Serotonin receptor 0.0121 1 1
Echinococcus granulosus peptide allatostatin:somatostatin 0.0121 1 1
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0248 0.0874
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.5892 0.5892
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.2552 0.2542
Loa Loa (eye worm) hypothetical protein 0.0008 0.0233 0.022
Echinococcus multilocularis serotonin receptor 0.0121 1 1
Brugia malayi hypothetical protein 0.0121 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1575 1
Echinococcus granulosus serotonin receptor 0.0121 1 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0248 0.0874
Onchocerca volvulus 0.0121 1 1
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0008 0.0233 0.0233
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.1575 0.5827
Echinococcus granulosus tachykinin peptides receptor 99D 0.0121 1 1
Leishmania major DNA polymerase kappa, putative 0.0023 0.1575 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.1575 0.1563
Trypanosoma brucei hypothetical protein, conserved 0.0007 0.0194 0.1155
Schistosoma mansoni camp-dependent protein kinase type I-beta regulatory subunit 0.0005 0.0014 0.0014
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.4318 0.4318
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.4318 0.431
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0121 1 1
Schistosoma mansoni histamine h1 receptor 0.0121 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0248 0.0874
Echinococcus granulosus neuropeptide FF receptor 2 0.0121 1 1
Echinococcus multilocularis neuropeptides capa receptor 0.0121 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.4318 0.4318
Trypanosoma cruzi DNA polymerase eta, putative 0.0007 0.0194 0.1155
Chlamydia trachomatis cAMP-dependent protein kinase regulatory subunit 0.0005 0.0014 0.5
Schistosoma mansoni amine GPCR 0.0121 1 1
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0121 1 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0248 0.0874
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1575 1
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0121 1 1
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0121 1 1
Schistosoma mansoni hypothetical protein 0.0121 1 1
Leishmania major DNA damage repair protein, putative 0.0007 0.0194 0.1155
Giardia lamblia DINP protein human, muc B family 0.0023 0.1575 1
Brugia malayi Serotonin receptor 0.0121 1 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0121 1 1
Echinococcus multilocularis g-protein coupled receptor 0.0121 1 1
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0005 0.0014 0.0014
Leishmania major DNA polymerase kappa, putative 0.0007 0.0194 0.1155
Trypanosoma brucei unspecified product 0.0016 0.0953 0.6019
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Brugia malayi putative neuropeptide receptor NPR1 0.0121 1 1
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0121 1 1
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0121 1 1
Brugia malayi Dopamine receptor 0.0121 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0008 0.0233 0.082
Brugia malayi hypothetical protein 0.0121 1 1
Onchocerca volvulus 0.0121 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0121 1 1
Plasmodium vivax DNA repair protein REV1, putative 0.0007 0.0194 1
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Onchocerca volvulus 0.0121 1 1
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Echinococcus granulosus cpg binding protein 0.0037 0.2722 0.2712
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0313 0.03
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0011 0.054 0.0527
Echinococcus granulosus biogenic amine 5HT receptor 0.0121 1 1
Echinococcus granulosus g protein coupled receptor 0.0121 1 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0039 0.2912 0.2903
Echinococcus granulosus dro:myosuppressin receptor 0.0121 1 1
Echinococcus granulosus neuropeptide Y receptor 0.0121 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0036 0.2693 1
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0121 1 1
Onchocerca volvulus 0.0121 1 1
Echinococcus granulosus voltage gated potassium channel 0.0011 0.054 0.0527
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.1575 1
Loa Loa (eye worm) neuropeptide F receptor 0.0121 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1575 1
Echinococcus multilocularis neuropeptide s receptor 0.0121 1 1
Onchocerca volvulus 0.0121 1 1
Echinococcus multilocularis neuropeptide Y receptor 0.0121 1 1
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.1575 0.1563
Treponema pallidum catabolite gene activator (Crp) 0.0005 0.0014 0.5
Schistosoma mansoni camp-dependent protein kinase regulatory chain 0.0005 0.0014 0.0014
Echinococcus multilocularis dro:myosuppressin receptor 0.0121 1 1
Echinococcus multilocularis allatostatin A receptor 0.0121 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.4318 0.431
Plasmodium falciparum DNA repair protein REV1, putative 0.0007 0.0194 1
Echinococcus multilocularis somatostatin receptor 0.0121 1 1
Loa Loa (eye worm) G-protein coupled receptor 0.0121 1 1
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0121 1 1
Treponema pallidum catabolite gene activator 0.0005 0.0014 0.5
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0121 1 1
Echinococcus granulosus allatostatin A receptor 0.0121 1 1
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0121 1 1
Brugia malayi G protein-coupled receptor 0.0121 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1575 1
Trypanosoma brucei DNA damage repair protein, putative 0.0007 0.0194 0.1155
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.1575 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0121 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0121 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0121 1 1
Echinococcus granulosus somatostatin receptor 0.0121 1 1
Loa Loa (eye worm) melatonin receptor type 1A 0.0121 1 1
Brugia malayi hypothetical protein 0.0121 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0121 1 1
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.1575 0.5
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1575 1
Onchocerca volvulus 0.0121 1 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0121 1 1
Echinococcus multilocularis dna polymerase kappa 0.0023 0.1575 0.1563
Brugia malayi hypothetical protein 0.0121 1 1
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Trypanosoma brucei hypothetical protein, conserved 0.0007 0.0194 0.1155
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0248 0.0874
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1575 1
Brugia malayi Dopamine receptor protein 2 0.0121 1 1
Echinococcus granulosus neuropeptide receptor A26 0.0121 1 1
Schistosoma mansoni neuropeptide receptor 0.0121 1 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0121 1 1
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0121 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.1575 1
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0121 1 1
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0121 1 1
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0121 1 1
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Schistosoma mansoni similar to Protein C20orf152 homolog 0.0005 0.0014 0.0014
Onchocerca volvulus 0.0121 1 1
Onchocerca volvulus 0.0121 1 1
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0121 1 1
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Loa Loa (eye worm) hypothetical protein 0.0007 0.0194 0.0181
Leishmania major DNA polymerase eta, putative 0.0007 0.0194 0.1155
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.1575 0.1563
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0121 1 1
Brugia malayi G-protein coupled receptor 0.0121 1 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.2471 0.2461
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0494 0.0481
Brugia malayi G protein-coupled receptor F59B2.13 0.0121 1 1
Onchocerca volvulus 0.0121 1 1
Brugia malayi Melatonin receptor type 1A 0.0121 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.1575 1
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0008 0.0233 0.022
Echinococcus granulosus hypothetical protein 0.0121 1 1
Echinococcus multilocularis dna polymerase eta 0.0023 0.1575 0.1563
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0248 0.0874
Echinococcus granulosus rhodopsin orphan GPCR 0.0121 1 1
Brugia malayi follicle stimulating hormone receptor 0.0121 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.4318 0.431
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1575 1
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0008 0.0233 0.022
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.4318 0.431
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0121 1 1
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Schistosoma mansoni neuropeptide receptor 0.0121 1 1
Onchocerca volvulus 0.0121 1 1
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0121 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 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) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 14.7157 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) = 56.2341 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] 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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