Detailed information for compound 1426561

Basic information

Technical information
  • TDR Targets ID: 1426561
  • Name: 2-[3-[2-(1-cyclohexenyl)ethyl]-1-(4-methylphe nyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacet amide
  • MW: 431.527 | Formula: C26H29N3O3
  • H donors: 1 H acceptors: 3 LogP: 4.13 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CC1N(CCC2=CCCCC2)C(=O)N(C1=O)c1ccc(cc1)C)Nc1ccccc1
  • InChi: 1S/C26H29N3O3/c1-19-12-14-22(15-13-19)29-25(31)23(18-24(30)27-21-10-6-3-7-11-21)28(26(29)32)17-16-20-8-4-2-5-9-20/h3,6-8,10-15,23H,2,4-5,9,16-18H2,1H3,(H,27,30)
  • InChiKey: LQDPDOFCPMKFDW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[3-[2-(1-cyclohexenyl)ethyl]-1-(4-methylphenyl)-2,5-dioxo-imidazolidin-4-yl]-N-phenyl-acetamide
  • 2-[3-[2-(1-cyclohexenyl)ethyl]-1-(4-methylphenyl)-2,5-dioxo-4-imidazolidinyl]-N-phenylacetamide
  • 2-[3-[2-(1-cyclohexenyl)ethyl]-2,5-diketo-1-(4-methylphenyl)imidazolidin-4-yl]-N-phenyl-acetamide
  • 2-[3-[2-(1-cyclohexenyl)ethyl]-1-(4-methylphenyl)-2,5-dioxo-imidazolidin-4-yl]-N-phenyl-ethanamide
  • NCGC00111090-01
  • C636-2261

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0052 0.0206 0.1093
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0119 0.0635 0.0635
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0034 0.0092 0.0092
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0007 0.0007
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0052 0.0206 0.1093
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0007 0.0015
Schistosoma mansoni microtubule-associated protein tau 0.1583 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0007 0.0015
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0054 0.0489
Entamoeba histolytica hypothetical protein 0.0074 0.0346 1
Brugia malayi nuclear receptor NHR-88 0.0021 0.0007 0.0015
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0529 0.3259 0.7212
Echinococcus multilocularis thyroid hormone receptor alpha 0.0277 0.1647 0.1647
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0052 0.0206 0.1093
Schistosoma mansoni transcription factor LCR-F1 0.0074 0.0346 0.0346
Brugia malayi MH2 domain containing protein 0.0116 0.0614 0.1359
Loa Loa (eye worm) hypothetical protein 0.0529 0.3259 0.7212
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0071 0.0645
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0007 0.0015
Entamoeba histolytica Flap nuclease, putative 0.0027 0.0044 0.1283
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0007 0.0007
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0007 0.0007
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.0614 0.1359
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0121 0.1106
Giardia lamblia GTOR 0.0052 0.0206 1
Mycobacterium tuberculosis Conserved protein 0.0191 0.1094 0.1427
Mycobacterium tuberculosis Conserved protein 0.0191 0.1094 0.1427
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0007 0.0007
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0007 0.0015
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0092 0.0092
Leishmania major mitochondrial DNA polymerase beta 0.0314 0.1882 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0015
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0097 0.0885
Loa Loa (eye worm) hypothetical protein 0.0076 0.0364 0.0805
Schistosoma mansoni hypothetical protein 0.0257 0.1516 0.1516
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0121 0.1106
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0034 0.0092 0.0092
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0121 0.1106
Loa Loa (eye worm) bromodomain containing protein 0.0035 0.01 0.0221
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0138 0.1262
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0167 0.0946 0.0946
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0121 0.1106
Mycobacterium tuberculosis Possible penicillin-binding protein 0.1218 0.7663 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0052 0.0206 0.1881
Toxoplasma gondii target of rapamycin (TOR), putative 0.0038 0.0121 0.0729
Onchocerca volvulus 0.0191 0.1094 1
Schistosoma mansoni zinc finger protein 0.0039 0.0124 0.0124
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0024 0.0031 0.0167
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.0614 0.1359
Brugia malayi ecdysteroid receptor 0.0021 0.0007 0.0015
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0191 0.1094 0.2421
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0257 0.1516 0.1516
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0333 0.0333
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.0007 0.0007
Leishmania major hypothetical protein, conserved 0.0191 0.1094 0.5813
Loa Loa (eye worm) hypothetical protein 0.0191 0.1094 0.2421
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0007 0.0007
Echinococcus multilocularis beta LACTamase domain containing family member 0.0191 0.1094 0.1094
Onchocerca volvulus 0.0191 0.1094 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0257 0.0569
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0015
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0054 0.0219 0.1163
Schistosoma mansoni hypothetical protein 0.0074 0.0346 0.0346
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0314 0.1882 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0167 0.0946 0.2093
Loa Loa (eye worm) hypothetical protein 0.0085 0.0418 0.0925
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0167 0.0946 0.0946
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0015
Trypanosoma cruzi target of rapamycin kinase 3 0.0041 0.0138 0.0735
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0045 0.0162 0.0162
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0007 0.0015
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0007 0.0015
Schistosoma mansoni hypothetical protein 0.0362 0.2188 0.2188
Schistosoma mansoni hypothetical protein 0.0041 0.0138 0.0138
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0314 0.1882 1
Schistosoma mansoni tar DNA-binding protein 0.0726 0.4518 0.4518
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0138 0.1262
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0073 0.0663
Mycobacterium tuberculosis Probable lipase LipE 0.0191 0.1094 0.1427
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0092 0.0092
Brugia malayi RNA recognition motif domain containing protein 0.0726 0.4518 1
Loa Loa (eye worm) hypothetical protein 0.0191 0.1094 0.2421
Schistosoma mansoni zinc finger protein 0.003 0.007 0.007
Mycobacterium tuberculosis Probable esterase LipL 0.0191 0.1094 0.1427
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0007 0.0015
Loa Loa (eye worm) RNA binding protein 0.0726 0.4518 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0073 0.0663
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0052 0.0206 0.5943
Toxoplasma gondii ABC1 family protein 0.0191 0.1094 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0052 0.0206 0.1093
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0007 0.0007
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0257 0.1516 0.1516
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0007 0.0007
Echinococcus multilocularis GPCR, family 2 0.0167 0.0946 0.0946
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0148 0.0825 0.4382
Schistosoma mansoni hypothetical protein 0.0167 0.0946 0.0946
Echinococcus granulosus fetal alzheimer antigen falz 0.0045 0.0162 0.0162
Trypanosoma cruzi ISWI complex protein 0.003 0.007 0.0371
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0007 0.0007
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0121 0.1106
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0191 0.1094 0.1427
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0052 0.0206 0.0206
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0007 0.0007
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0007 0.0015
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0138 0.1262
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0121 0.1106
Brugia malayi beta-lactamase family protein 0.0191 0.1094 0.2421
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0333 0.0333
Schistosoma mansoni thyroid hormone receptor 0.0277 0.1647 0.1647
Mycobacterium ulcerans hypothetical protein 0.0191 0.1094 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0007 0.0007
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0007 0.0015
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0007 0.0007
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0167 0.0946 0.0946
Trichomonas vaginalis penicillin-binding protein, putative 0.0191 0.1094 1
Onchocerca volvulus 0.0191 0.1094 1
Brugia malayi Latrophilin receptor protein 2 0.0167 0.0946 0.2093
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0007 0.0015
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0007 0.0015
Schistosoma mansoni hypothetical protein 0.0167 0.0946 0.0946
Plasmodium falciparum flap endonuclease 1 0.0027 0.0044 0.5
Schistosoma mansoni tar DNA-binding protein 0.0726 0.4518 0.4518
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0007 0.0015
Trypanosoma cruzi hypothetical protein, conserved 0.0191 0.1094 0.5813
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0157 0.1438
Trichomonas vaginalis flap endonuclease-1, putative 0.0027 0.0044 0.0406
Mycobacterium ulcerans esterase/lipase LipP 0.0191 0.1094 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0191 0.1094 0.1427
Brugia malayi RNA binding protein 0.0726 0.4518 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0034 0.0092 0.0092
Loa Loa (eye worm) PHD-finger family protein 0.0041 0.0138 0.0305
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0314 0.1882 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.0007 0.0007
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0027 0.0044 0.0236
Loa Loa (eye worm) hypothetical protein 0.0191 0.1094 0.2421
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0054 0.0489
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0021 0.0012 0.0065
Brugia malayi hypothetical protein 0.0074 0.0346 0.0766
Trichomonas vaginalis penicillin-binding protein, putative 0.0191 0.1094 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0007 0.0015
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0052 0.0206 0.1093
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0052 0.0206 0.5943
Loa Loa (eye worm) TAR-binding protein 0.0726 0.4518 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0092 0.0204
Mycobacterium ulcerans hypothetical protein 0.0165 0.0932 0.8519
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0041 0.0138 0.0735
Echinococcus multilocularis flap endonuclease 1 0.0027 0.0044 0.0044
Loa Loa (eye worm) latrophilin receptor protein 2 0.0167 0.0946 0.2093
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0007 0.0007
Brugia malayi beta-lactamase family protein 0.0191 0.1094 0.2421
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0007 0.0007
Echinococcus multilocularis tumor protein p63 0.0408 0.2485 0.2485
Echinococcus granulosus tar DNA binding protein 0.0726 0.4518 0.4518
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0053 0.0487
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0041 0.0138 0.0735
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0191 0.1094 0.2421
Brugia malayi PHD-finger family protein 0.005 0.0192 0.0425
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0074 0.0346 0.0346
Loa Loa (eye worm) hypothetical protein 0.0191 0.1094 0.2421
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0007 0.0015
Loa Loa (eye worm) hypothetical protein 0.0081 0.0394 0.0872
Entamoeba histolytica hypothetical protein 0.0074 0.0346 1
Mycobacterium leprae Probable lipase LipE 0.0191 0.1094 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0007 0.0015
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0138 0.1262
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.0092 0.0092
Plasmodium vivax hypothetical protein, conserved 0.0191 0.1094 1
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0015
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0007 0.0007
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0074 0.0346 0.0346
Toxoplasma gondii hypothetical protein 0.0051 0.0199 0.1469
Schistosoma mansoni hypothetical protein 0.003 0.007 0.007
Trichomonas vaginalis PIKK family atypical protein kinase 0.0052 0.0206 0.1881
Trichomonas vaginalis PIKK family atypical protein kinase 0.0052 0.0206 0.1881
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0007 0.0015
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0191 0.1094 0.2421
Loa Loa (eye worm) flap endonuclease-1 0.0027 0.0044 0.0098
Mycobacterium tuberculosis Probable hydrolase 0.0191 0.1094 0.1427
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0167 0.0946 0.0946
Brugia malayi Bromodomain containing protein 0.0149 0.083 0.1837
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0007 0.0015
Trichomonas vaginalis esterase, putative 0.0191 0.1094 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0726 0.4518 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0007 0.0007
Echinococcus granulosus zinc finger protein 0.0039 0.0124 0.0124
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0141 0.0776 0.1717
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0191 0.1094 1
Brugia malayi beta-lactamase 0.0191 0.1094 0.2421
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0044 0.0157 0.0835
Brugia malayi nuclear hormone receptor 0.0021 0.0007 0.0015
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0053 0.0487
Brugia malayi Calcitonin receptor-like protein seb-1 0.0529 0.3259 0.7212
Schistosoma mansoni tar DNA-binding protein 0.0726 0.4518 0.4518
Leishmania major hypothetical protein, conserved 0.003 0.007 0.0371
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0191 0.1094 0.1094
Brugia malayi TAR-binding protein 0.0726 0.4518 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0138 0.1262
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0027 0.0044 0.0236
Mycobacterium ulcerans lipase LipD 0.0191 0.1094 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0015
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0052 0.0206 0.0455
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0257 0.0257
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0007 0.0007
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0007 0.0015
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0007 0.0015
Echinococcus multilocularis zinc finger protein 0.0039 0.0124 0.0124
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0073 0.0663
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0071 0.0645
Schistosoma mansoni thyroid hormone receptor 0.0277 0.1647 0.1647
Trypanosoma brucei ISWI complex protein 0.003 0.007 0.0371
Brugia malayi latrophilin 2 splice variant baaae 0.0362 0.2188 0.4843
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0007 0.0007
Schistosoma mansoni bromodomain containing protein 0.0126 0.0681 0.0681
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0045 0.0162 0.0162
Echinococcus granulosus flap endonuclease 1 0.0027 0.0044 0.0044
Mycobacterium ulcerans beta-lactamase 0.0191 0.1094 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0007 0.0015
Loa Loa (eye worm) hypothetical protein 0.0167 0.0946 0.2093
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0191 0.1094 0.1427
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0015
Onchocerca volvulus 0.006 0.0257 0.2302
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0191 0.1094 0.1094
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0121 0.1106
Loa Loa (eye worm) hypothetical protein 0.0191 0.1094 0.2421
Giardia lamblia Flap structure-specific endonuclease 0.0027 0.0044 0.2159
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0148 0.0825 0.4382
Entamoeba histolytica hypothetical protein 0.0074 0.0346 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0148 0.0825 0.4382
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0027 0.0044 0.0236
Loa Loa (eye worm) phosphatidylinositol 3 0.0052 0.0206 0.0455
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0007 0.0015
Brugia malayi Bromodomain containing protein 0.0076 0.0363 0.0803
Schistosoma mansoni hypothetical protein 0.0167 0.0946 0.0946
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0015
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0044 0.0157 0.0835
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0044 0.0157 0.0835
Schistosoma mansoni hypothetical protein 0.0167 0.0946 0.0946
Schistosoma mansoni tar DNA-binding protein 0.0726 0.4518 0.4518
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0054 0.0489
Echinococcus granulosus methyl CpG binding domain protein 2 0.0034 0.0092 0.0092
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0052 0.0206 0.1093
Schistosoma mansoni methyl-cpg binding protein mbd 0.0034 0.0092 0.0092
Schistosoma mansoni coup transcription factor 0.0021 0.0007 0.0007
Trypanosoma cruzi hypothetical protein, conserved 0.0191 0.1094 0.5813
Trichomonas vaginalis D-aminoacylase, putative 0.0191 0.1094 1
Brugia malayi steroid hormone receptor 0.0021 0.0007 0.0015
Mycobacterium tuberculosis Conserved hypothetical protein 0.0165 0.0932 0.1216
Loa Loa (eye worm) beta-lactamase 0.0191 0.1094 0.2421
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0007 0.0007
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0007 0.0007
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0015
Echinococcus multilocularis tar DNA binding protein 0.0726 0.4518 0.4518
Trichomonas vaginalis D-aminoacylase, putative 0.0191 0.1094 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0119 0.0635 0.0635
Echinococcus granulosus tumor protein p63 0.0408 0.2485 0.2485
Entamoeba histolytica hypothetical protein 0.0074 0.0346 1
Schistosoma mansoni tar DNA-binding protein 0.0726 0.4518 0.4518
Trypanosoma cruzi ISWI complex protein 0.003 0.007 0.0371
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0052 0.0206 0.0206
Trypanosoma brucei hypothetical protein, conserved 0.0191 0.1094 0.5813
Mycobacterium leprae conserved hypothetical protein 0.0191 0.1094 0.5
Loa Loa (eye worm) hypothetical protein 0.0362 0.2188 0.4843
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0007 0.0015
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0044 0.0157 0.0835
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0007 0.0007
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0007 0.0007
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0007 0.0015
Brugia malayi Flap endonuclease-1 0.0027 0.0044 0.0098
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.009 0.082
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0054 0.0489
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0052 0.0206 0.0206
Trichomonas vaginalis D-aminoacylase, putative 0.0191 0.1094 1
Mycobacterium tuberculosis Probable lipase LipD 0.0191 0.1094 0.1427
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0529 0.3259 0.7212
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0007 0.0015
Mycobacterium tuberculosis Conserved protein 0.0191 0.1094 0.1427
Echinococcus multilocularis microtubule associated protein 2 0.1583 1 1
Schistosoma mansoni flap endonuclease-1 0.0024 0.0028 0.0028
Echinococcus granulosus beta LACTamase domain containing family member 0.0191 0.1094 0.1094
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0053 0.0487
Echinococcus granulosus GPCR family 2 0.0167 0.0946 0.0946

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.9125 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) = 15.8489 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Permissive Temperature. (Class of assay: confirmatory) [Related pubchem assays: 902 ] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. A Novel Cell-Based Assay to Identify Small Molecules for B -Galactocerebrosidase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 30.1313 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) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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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