Detailed information for compound 91748

Basic information

Technical information
  • TDR Targets ID: 91748
  • Name: 2-cyclohexyl-1-(3,5-dimethyl-1,2-oxazol-4-yl) -3-(2-methylquinolin-4-yl)guanidine
  • MW: 377.483 | Formula: C22H27N5O
  • H donors: 2 H acceptors: 2 LogP: 4.29 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(N/C(=N/C2CCCCC2)/Nc2c(C)noc2C)c2c(n1)cccc2
  • InChi: 1S/C22H27N5O/c1-14-13-20(18-11-7-8-12-19(18)23-14)25-22(24-17-9-5-4-6-10-17)26-21-15(2)27-28-16(21)3/h7-8,11-13,17H,4-6,9-10H2,1-3H3,(H2,23,24,25,26)
  • InChiKey: PDGVLIVEYGYVFM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-cyclohexyl-1-(3,5-dimethylisoxazol-4-yl)-3-(2-methyl-4-quinolyl)guanidine
  • 2-cyclohexyl-1-(3,5-dimethyl-4-isoxazolyl)-3-(2-methyl-4-quinolyl)guanidine
  • 2-cyclohexyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylquinolin-4-yl)guanidine
  • 2-cyclohexyl-3-(3,5-dimethylisoxazol-4-yl)-1-(2-methyl-4-quinolyl)guanidine
  • 2-cyclohexyl-3-(3,5-dimethyl-4-isoxazolyl)-1-(2-methyl-4-quinolyl)guanidine
  • 71079-30-6
  • BRN 5630232
  • Guanidine, 1-cyclohexyl-3-(3,5-dimethyl-4-isoxazol-4-yl)-2-(2-methyl-4-quinolyl)-
  • Guanidine, N-cyclohexyl-N'-(3,5-dimethyl-4-isoxazolyl)-N''-(2-methyl-4-quinolinyl)-
  • N-Cyclohexyl-N'-(3,5-dimethyl-4-isoxazolyl)-N''-(2-methyl-4-quinolinyl)guanidine

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Loa Loa (eye worm) mbt repeat family protein 0.0047 0.0332 0.0566
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0184 0.2109 0.3624
Brugia malayi jmjC domain containing protein 0.0074 0.0681 0.1303
Treponema pallidum fructose-bisphosphate aldolase 0.0311 0.3738 0.5
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0043 0.0277 0.0469
Schistosoma mansoni jumonji/arid domain-containing protein 0.0074 0.0681 0.1164
Brugia malayi Pre-SET motif family protein 0.0424 0.5208 1
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0043 0.0277 0.0477
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0059 0.0484 0.0832
Echinococcus multilocularis lysine specific demethylase 5A 0.0072 0.0657 0.0657
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0004 0.0002
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0004 0.0002
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0088 0.0869 0.1383
Plasmodium falciparum proteasome subunit beta type-5 0.0088 0.0869 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0052 0.0083
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.0364 0.0619
Brugia malayi beta-lactamase family protein 0.0071 0.0644 0.1231
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0004 0.0007
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0071 0.0644 0.1102
Echinococcus granulosus SAM and MBT domain containing protein 0.0047 0.0332 0.0571
Echinococcus multilocularis jumonji domain containing protein 0.0083 0.0796 0.0796
Loa Loa (eye worm) hypothetical protein 0.0021 0.0004 0.0002
Onchocerca volvulus 0.0071 0.0644 0.1073
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0004 0.0002
Plasmodium falciparum proteasome subunit beta type-2, putative 0.0043 0.0277 0.2761
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.0644 0.1002
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0004 0.0004
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.0644 0.7244
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0078 0.073 0.1248
Echinococcus granulosus PHD finger protein rhinoceros 0.0059 0.0496 0.0852
Brugia malayi nuclear receptor NHR-88 0.0021 0.0004 0.0002
Brugia malayi hypothetical protein 0.0217 0.2529 0.4853
Loa Loa (eye worm) TATA binding protein associated factor 0.0025 0.0052 0.0083
Onchocerca volvulus 0.0061 0.0514 0.0855
Giardia lamblia Fructose-bisphosphate aldolase 0.0311 0.3738 1
Brugia malayi steroid hormone receptor 0.0021 0.0004 0.0002
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0025 0.0052 0.0052
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0088 0.0869 0.171
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0069 0.0615 0.1056
Loa Loa (eye worm) hypothetical protein 0.0021 0.0004 0.0002
Schistosoma mansoni hypothetical protein 0.0059 0.0496 0.0845
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0053 0.0416 0.0793
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0004 0.0002
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0004 0.0002
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0004 0.0007
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0004 0.0002
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0004 0.0002
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0004 0.0002
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0059 0.0496 0.0845
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0025 0.0052 0.0052
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0472 0.582 1
Brugia malayi hypothetical protein 0.0025 0.0052 0.0093
Leishmania major proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative 0.0069 0.0615 0.6886
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0152 0.1687 0.2113
Trichomonas vaginalis penicillin-binding protein, putative 0.0071 0.0644 0.1002
Toxoplasma gondii PHD-finger domain-containing protein 0.0059 0.0496 0.5431
Loa Loa (eye worm) hypothetical protein 0.0102 0.1044 0.179
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0004 0.0004
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0311 0.3738 1
Echinococcus multilocularis geminin 0.018 0.2053 0.2053
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0071 0.0644 0.11
Brugia malayi mbt repeat family protein 0.0047 0.0332 0.0632
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0004 0.0004
Brugia malayi nuclear hormone receptor 0.0021 0.0004 0.0002
Onchocerca volvulus 0.0047 0.0332 0.055
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0004 0.0002
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0088 0.0869 1
Brugia malayi F/Y-rich N-terminus family protein 0.0024 0.0032 0.0056
Trypanosoma brucei hypothetical protein, conserved 0.0071 0.0644 0.7244
Loa Loa (eye worm) hypothetical protein 0.0078 0.073 0.125
Echinococcus granulosus beta LACTamase domain containing family member 0.0071 0.0644 0.1106
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0453 0.5579 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0014 0.0016
Brugia malayi jmjC domain containing protein 0.0195 0.2242 0.4302
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0025 0.0052 0.0052
Mycobacterium ulcerans beta-lactamase 0.0071 0.0644 0.3622
Loa Loa (eye worm) hypothetical protein 0.0071 0.0644 0.1102
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0004 0.0002
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0004 0.0002
Loa Loa (eye worm) hypothetical protein 0.0042 0.0268 0.0456
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0043 0.0277 0.0277
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0311 0.3738 0.6234
Loa Loa (eye worm) hypothetical protein 0.0071 0.0644 0.1102
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.0514 0.0876
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0004 0.0002
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0004 0.0002
Leishmania major proteasome beta 5 subunit, putative 0.0088 0.0869 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0078 0.073 0.073
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0184 0.2109 0.2109
Loa Loa (eye worm) jmjC domain-containing protein 0.0074 0.0681 0.1166
Onchocerca volvulus 0.0071 0.0644 0.1073
Loa Loa (eye worm) proteasome subunit beta type 1 0.0069 0.0615 0.1051
Schistosoma mansoni aminopeptidase A (M01 family) 0.0025 0.0052 0.0081
Plasmodium falciparum proteasome subunit beta type-1, putative 0.0069 0.0615 0.6886
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0088 0.0869 0.1489
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0311 0.3738 0.6234
Loa Loa (eye worm) hypothetical protein 0.0025 0.0052 0.0083
Loa Loa (eye worm) hypothetical protein 0.0021 0.0004 0.0002
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0014 0.0023
Loa Loa (eye worm) hypothetical protein 0.0025 0.0052 0.0083
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0004 0.0002
Leishmania major proteasome beta 2 subunit, putative 0.0043 0.0277 0.2761
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0088 0.0869 0.0457
Schistosoma mansoni hypothetical protein 0.018 0.2053 0.3522
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0004 0.0007
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.0644 0.7244
Loa Loa (eye worm) hypothetical protein 0.0047 0.0332 0.0566
Plasmodium vivax SET domain protein, putative 0.0061 0.0514 0.5655
Toxoplasma gondii proteasome subunit beta type, putative 0.0088 0.0869 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0061 0.0514 0.5655
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0025 0.0052 0.0089
Onchocerca volvulus 0.0483 0.5965 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0004 0.0002
Brugia malayi PHD-finger family protein 0.0024 0.0044 0.0078
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0069 0.0615 0.0952
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0004 0.0002
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0311 0.3738 0.6234
Plasmodium falciparum phd finger protein, putative 0.0059 0.0496 0.5431
Loa Loa (eye worm) hypothetical protein 0.0021 0.0004 0.0002
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0004 0.0007
Onchocerca volvulus 0.0025 0.0052 0.0079
Loa Loa (eye worm) hypothetical protein 0.004 0.0244 0.0414
Echinococcus multilocularis peregrin 0.0062 0.0526 0.0526
Brugia malayi beta-lactamase family protein 0.0071 0.0644 0.1231
Loa Loa (eye worm) MBCTL1 0.0053 0.0416 0.071
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0043 0.0277 0.0382
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0025 0.0052 0.0089
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0004 0.0007
Loa Loa (eye worm) hypothetical protein 0.0021 0.0004 0.0002
Schistosoma mansoni jumonji domain containing protein 0.0155 0.1725 0.2959
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0004 0.0002
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0195 0.2242 0.3853
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0071 0.0644 0.11
Brugia malayi Peptidase family M1 containing protein 0.0025 0.0052 0.0093
Entamoeba histolytica probable proteasome subunit beta type 2, putative 0.0043 0.0277 0.0612
Echinococcus multilocularis PHD finger protein rhinoceros 0.0059 0.0496 0.0496
Loa Loa (eye worm) jmjC domain-containing protein 0.0123 0.1313 0.2252
Brugia malayi Proteasome A-type and B-type family protein 0.0088 0.0869 0.1664
Echinococcus multilocularis SAM and MBT domain containing protein 0.0047 0.0332 0.0332
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0025 0.0052 0.0052
Echinococcus granulosus aminopeptidase N 0.0025 0.0052 0.0089
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0014 0.0014
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0053 0.0416 0.0715
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0047 0.0332 0.055
Onchocerca volvulus 0.0071 0.0644 0.1073
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0311 0.3738 0.6234
Loa Loa (eye worm) hypothetical protein 0.0021 0.0004 0.0002
Loa Loa (eye worm) hypothetical protein 0.0071 0.0644 0.1102
Toxoplasma gondii PHD-finger domain-containing protein 0.0059 0.0496 0.5431
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0004 0.0004
Trypanosoma cruzi 20S proteasome subunit 0.0043 0.0277 0.2761
Echinococcus granulosus proteasome prosome macropain 0.0088 0.0869 0.1494
Loa Loa (eye worm) hypothetical protein 0.0069 0.0624 0.1067
Echinococcus granulosus geminin 0.018 0.2053 0.3527
Plasmodium vivax proteasome subunit beta type-2, putative 0.0043 0.0277 0.2761
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0025 0.0052 0.0081
Schistosoma mansoni myelin transcription factor 1 myt1 0.0053 0.0416 0.0708
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0043 0.0277 0.0382
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0472 0.582 0.582
Loa Loa (eye worm) hypothetical protein 0.0053 0.0416 0.071
Brugia malayi Bromodomain containing protein 0.0074 0.0678 0.1297
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0004 0.0002
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0078 0.073 0.1248
Loa Loa (eye worm) hypothetical protein 0.0049 0.0364 0.0621
Brugia malayi Bromodomain containing protein 0.0038 0.0213 0.0404
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0088 0.0869 0.2218
Onchocerca volvulus Alhambra homolog 0.0059 0.0496 0.0824
Echinococcus granulosus histone lysine methyltransferase setb 0.0078 0.073 0.1254
Echinococcus granulosus peregrin 0.0062 0.0526 0.0903
Loa Loa (eye worm) proteasome subunit beta type 2 0.0043 0.0277 0.0472
Loa Loa (eye worm) PHD-finger family protein 0.0059 0.0496 0.0847
Echinococcus multilocularis tumor protein p63 0.0337 0.4074 0.4074
Schistosoma mansoni hypothetical protein 0.018 0.2053 0.3522
Echinococcus multilocularis proteasome (prosome, macropain) 0.0088 0.0869 0.0869
Schistosoma mansoni hypothetical protein 0.0285 0.3401 0.5841
Brugia malayi beta-lactamase 0.0071 0.0644 0.1231
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.0069 0.0615 0.1049
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0152 0.1687 1
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0088 0.0869 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0071 0.0644 0.3622
Trypanosoma brucei proteasome beta 6 subunit 0.0069 0.0615 0.6886
Loa Loa (eye worm) hypothetical protein 0.0021 0.0004 0.0002
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0004 0.0002
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0004 0.0004
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0004 0.0002
Loa Loa (eye worm) hypothetical protein 0.0038 0.0214 0.0363
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0059 0.0485 0.0834
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0004 0.0002
Trichomonas vaginalis esterase, putative 0.0071 0.0644 0.1002
Loa Loa (eye worm) peptidase family M1 containing protein 0.0025 0.0052 0.0083
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0025 0.0052 0.0089
Echinococcus multilocularis beta LACTamase domain containing family member 0.0071 0.0644 0.0644
Brugia malayi hypothetical protein 0.0025 0.0052 0.0093
Brugia malayi TATA binding protein associated factor 0.0025 0.0052 0.0093
Toxoplasma gondii proteasome subunit beta type 2, putative 0.0043 0.0277 0.2761
Mycobacterium ulcerans proteasome PrcB 0.0088 0.0869 0.5
Echinococcus multilocularis polycomb protein SCMH1 0.0047 0.0332 0.0332
Echinococcus multilocularis thyroid hormone receptor alpha 0.0021 0.0004 0.0004
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0061 0.0514 0.0514
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.0644 0.1002
Toxoplasma gondii ABC1 family protein 0.0071 0.0644 0.7244
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0069 0.0615 0.6886
Giardia lamblia PHD finger protein 15 0.0059 0.0496 0.0631
Brugia malayi ecdysteroid receptor 0.0021 0.0004 0.0002
Onchocerca volvulus 0.0049 0.0364 0.0604
Trypanosoma cruzi proteasome subunit beta type-2, putative 0.0043 0.0277 0.2761
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0061 0.0514 0.0876
Mycobacterium ulcerans hypothetical protein 0.0071 0.0644 0.3622
Plasmodium vivax hypothetical protein, conserved 0.0071 0.0644 0.7244
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0311 0.3738 1
Brugia malayi MH2 domain containing protein 0.0235 0.2765 0.5306
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0004 0.0007
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0004 0.0007
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0152 0.1687 1
Schistosoma mansoni bromodomain containing protein 0.0062 0.053 0.0903
Plasmodium vivax proteasome subunit beta type-5, putative 0.0088 0.0869 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0235 0.2765 0.4748
Echinococcus granulosus lysine specific demethylase 5A 0.0074 0.0681 0.1171
Entamoeba histolytica proteasome subunit beta type 1, putative 0.0069 0.0615 0.1527
Brugia malayi mbt repeat family protein 0.0047 0.0332 0.0632
Giardia lamblia Proteasome subunit beta type 1 0.0069 0.0615 0.0975
Leishmania major hypothetical protein, conserved 0.0071 0.0644 0.7244
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0022 0.0008 0.0006
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0053 0.0416 0.0416
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0088 0.0869 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.0496 0.0847
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0004 0.0004
Schistosoma mansoni jumonji/arid domain-containing protein 0.0074 0.0681 0.1164
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0025 0.0052 0.0052
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0043 0.0277 0.0469
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0311 0.3738 0.6234
Echinococcus granulosus tumor protein p63 0.0337 0.4074 0.7
Loa Loa (eye worm) aminopeptidase N 0.0025 0.0052 0.0083
Brugia malayi Peptidase family M1 containing protein 0.0025 0.0052 0.0093
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0004 0.0007
Echinococcus granulosus histone acetyltransferase MYST2 0.0053 0.0416 0.0715
Plasmodium vivax proteasome subunit beta type-1, putative 0.0069 0.0615 0.6886
Brugia malayi proteasome subunit beta type 2 0.0043 0.0277 0.0527
Toxoplasma gondii proteasome subunit beta type 1, putative 0.0069 0.0615 0.6886
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0088 0.0869 0.1487
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0004 0.0002
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0025 0.0052 0.0081
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.0644 0.1002
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0025 0.0052 0.0089
Echinococcus granulosus polycomb protein SCMH1 0.0047 0.0332 0.0571
Brugia malayi proteasome subunit beta type 1 0.0069 0.0615 0.1175
Onchocerca volvulus 0.0025 0.0052 0.0079
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0047 0.0332 0.0564
Echinococcus granulosus leukotriene A 4 hydrolase 0.0472 0.582 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0004 0.0002
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0183 0.0315
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0071 0.0644 0.1102
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0195 0.2242 0.2242
Echinococcus multilocularis histone acetyltransferase MYST2 0.0053 0.0416 0.0416
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0004 0.0004
Plasmodium vivax hypothetical protein, conserved 0.0059 0.0496 0.5431
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0004 0.0002
Trypanosoma brucei proteasome subunit beta type-2, putative 0.0043 0.0277 0.2761
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0183 0.0183
Loa Loa (eye worm) hypothetical protein 0.0071 0.0644 0.1102
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0472 0.582 1
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0069 0.0615 0.6886
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0069 0.0615 0.0615
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0332 0.0564
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0071 0.0644 0.1231
Mycobacterium ulcerans lipase LipD 0.0071 0.0644 0.3622
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0088 0.0869 0.216
Echinococcus granulosus jumonji domain containing protein 0.0083 0.0796 0.1368
Brugia malayi Bromodomain containing protein 0.0062 0.0526 0.1004
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0004 0.0007
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0311 0.3738 0.6234
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0424 0.5208 0.8948
Loa Loa (eye worm) beta-lactamase 0.0071 0.0644 0.1102
Loa Loa (eye worm) transcription factor SMAD2 0.0235 0.2765 0.4748
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0311 0.3738 0.6234
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0025 0.0052 0.0089
Onchocerca volvulus 0.0025 0.0052 0.0079
Echinococcus multilocularis aminopeptidase N 0.0025 0.0052 0.0052
Brugia malayi Peptidase family M1 containing protein 0.0025 0.0052 0.0093
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0059 0.0484 0.0484
Trichomonas vaginalis penicillin-binding protein, putative 0.0071 0.0644 0.1002
Brugia malayi PHD-finger family protein 0.0059 0.0496 0.0946
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0025 0.0052 0.0081
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0025 0.0052 0.0089
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0025 0.0052 0.0052
Brugia malayi Pre-SET motif family protein 0.0061 0.0514 0.0982
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0332 0.0564
Loa Loa (eye worm) hypothetical protein 0.0021 0.0004 0.0002
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0311 0.3738 0.6234
Mycobacterium ulcerans esterase/lipase LipP 0.0071 0.0644 0.3622
Loa Loa (eye worm) hypothetical protein 0.0071 0.0644 0.1102
Trichomonas vaginalis set domain proteins, putative 0.0483 0.5965 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 17 % Percent inhibition of carrageenan paw edema in rat, administered orally at a dose of one tenth of oral lethal dose in mice ChEMBL. 6965727
Inhibition (binding) = 19.3 % Inhibition of prostaglandin synthetase in bovine seminal vesicle microsomes using Beckman liquid scintillation counter at 10 e-5 M ChEMBL. 6965727
Inhibition (binding) = 19.3 % Inhibition of prostaglandin synthetase in bovine seminal vesicle microsomes using Beckman liquid scintillation counter at 10 e-5 M ChEMBL. 6965727
LD50 (ADMET) > 1000 mg kg-1 Lethal dose in mice determined by Litchfield and Wilcoxon methods after peroral administration. ChEMBL. 6965727
LD50 (ADMET) > 1000 mg kg-1 Lethal dose in mice determined by Litchfield and Wilcoxon methods after peroral administration. ChEMBL. 6965727

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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