Detailed information for compound 1247460

Basic information

Technical information
  • TDR Targets ID: 1247460
  • Name: 2-(2-chlorophenyl)-4-[[2-(4-fluorophenyl)pyrr olidin-1-yl]methyl]-5-methyl-1,3-oxazole
  • MW: 370.848 | Formula: C21H20ClFN2O
  • H donors: 0 H acceptors: 1 LogP: 5.02 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)C1CCCN1Cc1nc(oc1C)c1ccccc1Cl
  • InChi: 1S/C21H20ClFN2O/c1-14-19(24-21(26-14)17-5-2-3-6-18(17)22)13-25-12-4-7-20(25)15-8-10-16(23)11-9-15/h2-3,5-6,8-11,20H,4,7,12-13H2,1H3
  • InChiKey: CAVIQWYEQGSTFK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2-chlorophenyl)-4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-oxazole
  • 2-(2-chlorophenyl)-4-[[2-(4-fluorophenyl)-1-pyrrolidinyl]methyl]-5-methyloxazole
  • 2-(2-chlorophenyl)-4-{[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl}-5-methyl-1,3-oxazole
  • MLS000733504
  • SMR000316862

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Intermediate filament tail domain containing 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
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
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
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
Loa Loa (eye worm) intermediate filament tail domain-containing protein 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
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus granulosus cytoplasmic intermediate filament 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
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni lamin 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
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 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
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus 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
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 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
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
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 Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 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
Echinococcus granulosus guanine nucleotide binding protein Gs 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0285 0.088
Brugia malayi hypothetical protein 0.0011 0.0015 0.0047
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0143 0.0441
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0143 0.0233
Schistosoma mansoni topbp1 0.0011 0.0013 0.0021
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0011 0.0015 0.0025
Trichomonas vaginalis AGC family protein kinase 0.023 0.2784 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0143 0.0441
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0143 0.0233
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.0011 0.0013 0.5
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0011 0.0013 0.000001253
Loa Loa (eye worm) hypothetical protein 0.0011 0.0015 0.0047
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0011 0.0013 0.000001253
Echinococcus granulosus lamin dm0 0.0033 0.0285 0.0465
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0038 0.0355 0.0579
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0143 0.0441
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0387 0.135
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0143 0.0233
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0143 0.0233
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0143 0.0233
Loa Loa (eye worm) hypothetical protein 0.0021 0.0143 0.0441
Echinococcus granulosus tar DNA binding protein 0.0071 0.0773 0.1263
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0143 0.0233
Brugia malayi DKFZp564C0469 protein 0.0011 0.0013 0.0039
Loa Loa (eye worm) hypothetical protein 0.0011 0.0013 0.0039
Schistosoma mansoni hypothetical protein 0.0082 0.0914 0.1493
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0093 0.0289
Brugia malayi Protein kinase domain containing protein 0.023 0.2784 0.8606
Loa Loa (eye worm) hypothetical protein 0.0011 0.0013 0.0039
Entamoeba histolytica hypothetical protein 0.004 0.0384 0.1341
Brugia malayi Glycosyl hydrolases family 31 protein 0.0183 0.2189 0.6767
Loa Loa (eye worm) hypothetical protein 0.0011 0.0013 0.0039
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0015 0.0025
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0572 0.0934
Schistosoma mansoni hypothetical protein 0.0038 0.0355 0.0579
Echinococcus multilocularis musashi 0.0033 0.0285 0.0285
Schistosoma mansoni intermediate filament proteins 0.0033 0.0285 0.0465
Loa Loa (eye worm) hypothetical protein 0.0011 0.0013 0.0039
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0143 0.0143
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0572 0.0934
Trichomonas vaginalis maltase-glucoamylase, putative 0.0015 0.0064 0.0186
Loa Loa (eye worm) hypothetical protein 0.0011 0.0015 0.0047
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0387 0.135
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0015 0.0064 0.0186
Brugia malayi TAR-binding protein 0.0071 0.0773 0.2391
Schistosoma mansoni cpg binding protein 0.0037 0.0337 0.055
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0143 0.0143
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0143 0.0233
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0773 0.1263
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0007 0.0021
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0572 0.0934
Trichomonas vaginalis alpha-glucosidase, putative 0.0015 0.0064 0.0186
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0072 0.0072
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0704 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0143 0.0143
Echinococcus multilocularis tumor protein p63 0.038 0.4676 0.4676
Loa Loa (eye worm) latrophilin receptor protein 2 0.0038 0.0355 0.1097
Loa Loa (eye worm) TAR-binding protein 0.0071 0.0773 0.2391
Onchocerca volvulus Protein ultraspiracle homolog 0.0021 0.0143 0.1176
Loa Loa (eye worm) hypothetical protein 0.0021 0.0143 0.0441
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0572 0.0934
Echinococcus granulosus dnaJ subfamily B 0.0494 0.6122 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0183 0.2189 0.2189
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0143 0.0441
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0384 0.0627
Brugia malayi Glycosyl hydrolases family 31 protein 0.0015 0.0064 0.0198
Chlamydia trachomatis DNA ligase 0.0011 0.0013 0.5
Onchocerca volvulus 0.0035 0.0311 0.2569
Brugia malayi steroid hormone receptor 0.0021 0.0143 0.0441
Loa Loa (eye worm) hypothetical protein 0.0021 0.0143 0.0441
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0143 0.0441
Loa Loa (eye worm) hypothetical protein 0.0011 0.0013 0.0039
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0572 0.0572
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0143 0.0441
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0285 0.088
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0015 0.0064 0.0186
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0143 0.0233
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0143 0.0441
Brugia malayi Calcitonin receptor-like protein seb-1 0.012 0.1396 0.4316
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0072 0.0117
Plasmodium vivax replication factor C subunit 1, putative 0.0011 0.0013 0.5
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0041 0.0387 0.135
Brugia malayi Glycosyl hydrolases family 31 protein 0.0041 0.0387 0.1195
Onchocerca volvulus 0.0054 0.0558 0.4606
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0572 0.0572
Schistosoma mansoni alpha-glucosidase 0.0158 0.1866 0.3048
Echinococcus granulosus 3-phosphoinositide-dependent protein kinase 1 0.023 0.2784 0.4547
Brugia malayi ecdysteroid receptor 0.0021 0.0143 0.0441
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0143 0.0441
Leishmania major alpha glucosidase II subunit, putative 0.0041 0.0387 1
Echinococcus multilocularis lamin 0.0033 0.0285 0.0285
Loa Loa (eye worm) hypothetical protein 0.0021 0.0143 0.0441
Brugia malayi RNA recognition motif domain containing protein 0.0071 0.0773 0.2391
Toxoplasma gondii ATPase, AAA family protein 0.0011 0.0013 0.0000050218
Schistosoma mansoni hypothetical protein 0.004 0.0384 0.0627
Brugia malayi phosphoinositide-dependent protein kinase I 0.023 0.2784 0.8606
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0143 0.0441
Schistosoma mansoni cellular tumor antigen P53 0.0056 0.0576 0.094
Schistosoma mansoni hypothetical protein 0.0494 0.6122 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0143 0.0143
Trypanosoma brucei glycosyl hydrolase-like protein 0.0015 0.0064 0.1376
Brugia malayi Pax transcription activation domain interacting protein 0.0011 0.0013 0.0039
Trichomonas vaginalis replication factor C large subunit, putative 0.0011 0.0013 0.000001253
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0143 0.0441
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0803 0.1312
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.6122 0.6122
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0143 0.0233
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0143 0.0441
Echinococcus multilocularis tar DNA binding protein 0.0071 0.0773 0.0773
Loa Loa (eye worm) hypothetical protein 0.0015 0.0064 0.0198
Loa Loa (eye worm) hypothetical protein 0.0021 0.0143 0.0441
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0008 0.0026
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0038 0.0355 0.0355
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0011 0.0015 0.0047
Loa Loa (eye worm) hypothetical protein 0.012 0.1396 0.4316
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0387 1
Brugia malayi latrophilin 2 splice variant baaae 0.0082 0.0914 0.2826
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0572 0.1767
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0143 0.0233
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0387 0.135
Schistosoma mansoni serine/threonine protein kinase 0.023 0.2784 0.4547
Loa Loa (eye worm) hypothetical protein 0.0038 0.0355 0.1097
Schistosoma mansoni chromosome transmission fidelity factor 0.0011 0.0013 0.0021
Schistosoma mansoni alpha glucosidase 0.0041 0.0387 0.0632
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0008 0.0008
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0015 0.0064 0.1376
Onchocerca volvulus 0.0011 0.0013 0.0104
Echinococcus multilocularis replication factor c subunit 1 0.0011 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0015 0.0064 0.0198
Loa Loa (eye worm) hypothetical protein 0.0011 0.0013 0.0039
Brugia malayi nuclear hormone receptor 0.0021 0.0143 0.0441
Echinococcus granulosus tumor protein p63 0.038 0.4676 0.7638
Echinococcus multilocularis neutral alpha glucosidase AB 0.0041 0.0387 0.0387
Echinococcus granulosus neutral alpha glucosidase AB 0.0041 0.0387 0.0632
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0015 0.0064 0.0529
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0011 0.0013 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0143 0.0441
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0143 0.0233
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0143 0.0441
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0071 0.0773 0.2391
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0143 0.0233
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0143 0.0441
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0011 0.0013 0.000001253
Brugia malayi nuclear receptor NHR-88 0.0021 0.0143 0.0441
Loa Loa (eye worm) hypothetical protein 0.0021 0.0143 0.0441
Loa Loa (eye worm) hypothetical protein 0.0011 0.0015 0.0047
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0038 0.0355 0.0355
Trichomonas vaginalis sucrase-isomaltase, putative 0.0041 0.0387 0.135
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0143 0.0441
Schistosoma mansoni lamin 0.0033 0.0285 0.0465
Brugia malayi CXXC zinc finger family protein 0.0035 0.0311 0.0963
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0015 0.0064 0.0186
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0143 0.0233
Onchocerca volvulus 0.0056 0.0576 0.475
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0143 0.0441
Loa Loa (eye worm) hypothetical protein 0.0082 0.0914 0.2826
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0387 0.135
Brugia malayi Latrophilin receptor protein 2 0.0038 0.0355 0.1097
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0143 0.0441
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0015 0.0064 0.1376
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0143 0.0143
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.023 0.2784 0.8606
Brugia malayi intermediate filament protein 0.0033 0.0285 0.088
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0773 0.1263
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0008 0.0014
Trypanosoma brucei glucosidase, putative 0.0041 0.0387 1
Echinococcus granulosus nibrin 0.0011 0.0013 0.0021
Trichomonas vaginalis alpha-glucosidase, putative 0.0015 0.0064 0.0186
Loa Loa (eye worm) hypothetical protein 0.0011 0.0015 0.0047
Loa Loa (eye worm) RNA binding protein 0.0071 0.0773 0.2391
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0041 0.0387 0.1195
Onchocerca volvulus 0.0033 0.0285 0.2349
Trichomonas vaginalis alpha-glucosidase, putative 0.0015 0.0064 0.0186
Echinococcus granulosus lysosomal alpha glucosidase 0.0183 0.2189 0.3575
Loa Loa (eye worm) hypothetical protein 0.0032 0.0277 0.0857
Echinococcus multilocularis GPCR, family 2 0.0038 0.0355 0.0355
Echinococcus granulosus replication factor c subunit 1 0.0011 0.0013 0.0021
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.0143 0.0233
Schistosoma mansoni lamin 0.0033 0.0285 0.0465
Brugia malayi hypothetical protein 0.0266 0.3234 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0041 0.0387 0.135
Entamoeba histolytica hypothetical protein 0.004 0.0384 0.1341
Schistosoma mansoni cpg binding protein 0.0037 0.0337 0.055
Loa Loa (eye worm) hypothetical protein 0.0021 0.0143 0.0441
Echinococcus multilocularis cpg binding protein 0.0037 0.0337 0.0337
Trichomonas vaginalis AGC family protein kinase 0.023 0.2784 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0054 0.0558 0.1726
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0572 0.1767
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0038 0.0355 0.1097
Echinococcus multilocularis survival motor neuron protein 1 0.0266 0.3234 0.3234
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0311 0.0963
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0143 0.0441
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0572 0.0934
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0143 0.0233
Schistosoma mansoni topbp1 0.0011 0.0013 0.0021
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0011 0.0013 0.0039
Giardia lamblia Replication factor C, subunit 1 0.0011 0.0013 0.5
Onchocerca volvulus 0.0033 0.0285 0.2349
Trichomonas vaginalis alpha-glucosidase, putative 0.0015 0.0064 0.0186
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0143 0.0441
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0387 0.135
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0143 0.0441
Brugia malayi RNA binding protein 0.0071 0.0773 0.2391
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0143 0.0441
Trichomonas vaginalis AGC family protein kinase 0.023 0.2784 1
Schistosoma mansoni alpha-glucosidase 0.0158 0.1866 0.3048
Echinococcus multilocularis lysosomal alpha glucosidase 0.0183 0.2189 0.2189
Schistosoma mansoni hypothetical protein 0.0038 0.0355 0.0579
Brugia malayi hypothetical protein 0.004 0.0384 0.1188
Treponema pallidum DNA ligase (lig) 0.0011 0.0013 0.5
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0041 0.0387 0.5409
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0183 0.2189 0.6767
Schistosoma mansoni cpg binding protein 0.0035 0.0311 0.0509
Echinococcus granulosus survival motor neuron protein 1 0.0266 0.3234 0.5283
Plasmodium falciparum replication factor C subunit 1, putative 0.0011 0.0013 0.5
Echinococcus granulosus GPCR family 2 0.0038 0.0355 0.0579
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0041 0.0387 0.135
Schistosoma mansoni coup transcription factor 0.0021 0.0143 0.0233
Brugia malayi hypothetical protein 0.0011 0.0013 0.0039
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0011 0.0015 0.0025
Loa Loa (eye worm) hypothetical protein 0.0021 0.0143 0.0441
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0015 0.0047
Schistosoma mansoni survival motor neuron protein 0.0054 0.0558 0.0912
Echinococcus granulosus intermediate filament protein 0.0033 0.0285 0.0465
Echinococcus multilocularis lamin dm0 0.0033 0.0285 0.0285
Trichomonas vaginalis alpha-glucosidase, putative 0.0015 0.0064 0.0186
Echinococcus granulosus cpg binding protein 0.0037 0.0337 0.055
Brugia malayi hypothetical protein 0.0011 0.0013 0.0039
Brugia malayi hypothetical protein 0.0011 0.0015 0.0047
Loa Loa (eye worm) hypothetical protein 0.0016 0.0072 0.0221
Brugia malayi topoisomerase 0.0011 0.0013 0.0039
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0143 0.0441
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.0143 0.0233
Onchocerca volvulus 0.0021 0.0143 0.1176
Echinococcus multilocularis thyroid hormone receptor alpha 0.0021 0.0143 0.0143
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0143 0.0143
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0773 0.1263
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0143 0.0441
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0285 0.088
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0143 0.0233
Schistosoma mansoni hypothetical protein 0.0038 0.0355 0.0579
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0143 0.0233
Entamoeba histolytica protein kinase, putative 0.023 0.2784 1
Entamoeba histolytica hypothetical protein 0.004 0.0384 0.1341
Onchocerca volvulus 0.0106 0.1212 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.012 0.1396 0.4316
Brugia malayi nuclear receptor RXR 0.0011 0.0015 0.0047
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0041 0.0387 0.135
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0093 0.0289
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.0011 0.0013 0.5
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0011 0.0015 0.0015
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0038 0.0355 0.0579
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0021 0.0143 0.1176
Schistosoma mansoni DNA ligase IV 0.0011 0.0013 0.0021
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0143 0.0441
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0773 0.1263
Schistosoma mansoni hypothetical protein 0.0038 0.0355 0.0579
Loa Loa (eye worm) hypothetical protein 0.0033 0.0285 0.088
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0384 0.0627
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0773 0.1263
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0041 0.0387 0.135
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0143 0.0143
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0015 0.0047
Schistosoma mansoni hypothetical protein 0.0054 0.0558 0.0912
Echinococcus granulosus lamin 0.0033 0.0285 0.0465
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0143 0.0233
Echinococcus multilocularis 3 phosphoinositide dependent protein kinase 1 0.023 0.2784 0.2784
Loa Loa (eye worm) hypothetical protein 0.0015 0.0064 0.0198
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0387 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.012 0.1396 0.4316
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.023 0.2784 0.8606
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0143 0.0233
Loa Loa (eye worm) hypothetical protein 0.0266 0.3234 1
Entamoeba histolytica hypothetical protein 0.004 0.0384 0.1341
Loa Loa (eye worm) hypothetical protein 0.0056 0.0576 0.178
Echinococcus multilocularis nibrin 0.0011 0.0013 0.0013
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0143 0.0233
Onchocerca volvulus Bile acid receptor homolog 0.0021 0.0143 0.1176
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0384 0.0384
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0143 0.0143
Loa Loa (eye worm) hypothetical protein 0.0011 0.0015 0.0047

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0316 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.1122 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 1.122 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.5733 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) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (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 ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 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 (binding) = 35.4813 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 Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens 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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