Detailed information for compound 1378764

Basic information

Technical information
  • TDR Targets ID: 1378764
  • Name: N-cyclohexyl-N-methyl-2-(2-oxo-6-pyrrolidin-1 -ylsulfonyl-1,3-benzoxazol-3-yl)acetamide
  • MW: 421.51 | Formula: C20H27N3O5S
  • H donors: 0 H acceptors: 4 LogP: 2.3 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N(C1CCCCC1)C)Cn1c(=O)oc2c1ccc(c2)S(=O)(=O)N1CCCC1
  • InChi: 1S/C20H27N3O5S/c1-21(15-7-3-2-4-8-15)19(24)14-23-17-10-9-16(13-18(17)28-20(23)25)29(26,27)22-11-5-6-12-22/h9-10,13,15H,2-8,11-12,14H2,1H3
  • InChiKey: WSPOMTBESNRLRH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-cyclohexyl-N-methyl-2-(2-oxo-6-1-pyrrolidinylsulfonyl-1,3-benzoxazol-3-yl)acetamide
  • N-cyclohexyl-2-(2-keto-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-methyl-acetamide
  • N-cyclohexyl-N-methyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)ethanamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Papain family cysteine protease containing protein 0.0087 0.2403 0.2339
Echinococcus granulosus cathepsin l1 0.016 0.4624 0.4612
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0037 0.0888 0.1921
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.016 0.4624 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0037 0.0888 0.0808
Leishmania major cathepsin L-like protease 0.016 0.4624 1
Brugia malayi Carboxylesterase family protein 0.0026 0.0552 0.0472
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.016 0.4624 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.016 0.4624 1
Entamoeba histolytica cysteine proteinase, putative 0.0087 0.2403 0.4054
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1012 0.0937
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0037 0.0888 0.1921
Brugia malayi Papain family cysteine protease containing protein 0.0087 0.2403 0.2339
Leishmania major cathepsin L-like protease 0.016 0.4624 1
Entamoeba histolytica cysteine proteinase 1, putative 0.0087 0.2403 0.4054
Brugia malayi cathepsin F-like cysteine proteinase 0.0037 0.0888 0.0812
Schistosoma mansoni gliotactin 0.0026 0.0552 0.053
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0087 0.2403 0.2385
Entamoeba histolytica cysteine protease, putative 0.0087 0.2403 0.4054
Schistosoma mansoni apoferritin-2 0.001 0.0072 0.0049
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.016 0.4624 1
Toxoplasma gondii cathepsin B 0.013 0.3706 0.7543
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.016 0.4624 0.4577
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.001 0.0072 0.5
Schistosoma mansoni ferritin 0.001 0.0072 0.0049
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.016 0.4624 1
Trichomonas vaginalis spcc417.12 protein, putative 0.0026 0.0552 0.1193
Brugia malayi CXXC zinc finger family protein 0.0035 0.0815 0.0738
Schistosoma mansoni cpg binding protein 0.0035 0.0815 0.0794
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.016 0.4624 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.016 0.4624 0.4612
Trypanosoma cruzi cysteine peptidase, putative 0.016 0.4624 0.41
Onchocerca volvulus 0.016 0.4624 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0552 0.0468
Echinococcus granulosus cathepsin L 0.0037 0.0888 0.0867
Onchocerca volvulus Cathepsin L homolog 0.016 0.4624 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.034 0.0255
Brugia malayi Papain family cysteine protease containing protein 0.0037 0.0888 0.0812
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0337 1 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0037 0.0888 0.0808
Onchocerca volvulus 0.016 0.4624 1
Entamoeba histolytica cysteine protease, putative 0.0087 0.2403 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0037 0.0888 0.1921
Leishmania major cathepsin L-like protease 0.016 0.4624 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.016 0.4624 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0337 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1591 0.152
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0087 0.2403 0.2385
Loa Loa (eye worm) fibroinase 0.016 0.4624 0.4577
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0026 0.0552 0.053
Loa Loa (eye worm) hypothetical protein 0.0037 0.0888 0.0808
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.016 0.4624 1
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0037 0.0888 0.0867
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0815 0.0734
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.013 0.3706 0.8015
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.016 0.4624 1
Brugia malayi fibroinase precursor 0.0037 0.0888 0.0812
Entamoeba histolytica cysteine protease, putative 0.0087 0.2403 0.4054
Brugia malayi Cathepsin L-like precursor 0.011 0.311 0.3052
Echinococcus multilocularis cathepsin L cysteine protease 0.016 0.4624 0.4612
Loa Loa (eye worm) hypothetical protein 0.006 0.1591 0.1517
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.016 0.4624 1
Schistosoma mansoni cathepsin C 0.0037 0.0888 0.0867
Trypanosoma cruzi cysteine proteinase, putative 0.0087 0.2403 0.1662
Onchocerca volvulus 0.016 0.4624 1
Brugia malayi Carboxylesterase family protein 0.0026 0.0552 0.0472
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.016 0.4624 1
Echinococcus granulosus BC026374 protein S09 family 0.0026 0.0552 0.053
Brugia malayi Cathepsin L-like precursor 0.016 0.4624 0.4579
Echinococcus multilocularis cathepsin b 0.0337 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.0037 0.0888 0.1921
Trypanosoma cruzi cysteine peptidase, putative 0.0087 0.2403 0.1662
Loa Loa (eye worm) hypothetical protein 0.0026 0.0552 0.0468
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.016 0.4624 1
Entamoeba histolytica cysteine protease, putative 0.0087 0.2403 0.4054
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0026 0.0552 0.053
Loa Loa (eye worm) hypothetical protein 0.011 0.311 0.3049
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0087 0.0064
Echinococcus multilocularis carboxylesterase 5A 0.0154 0.4439 0.4426
Schistosoma mansoni cathepsin s 0.005 0.1276 0.1256
Schistosoma mansoni BC026374 protein (S09 family) 0.0026 0.0552 0.053
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0037 0.0888 0.1921
Brugia malayi Cathepsin L-like cysteine proteinase 0.011 0.311 0.3052
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0037 0.0888 0.1921
Schistosoma mansoni ferritin 0.001 0.0072 0.0049
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0037 0.0888 0.0867
Echinococcus granulosus acetylcholinesterase 0.0154 0.4439 0.4426
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0337 1 1
Echinococcus multilocularis cathepsin L 0.0037 0.0888 0.0867
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0037 0.0888 0.1921
Echinococcus multilocularis expressed protein 0.001 0.0072 0.0049
Plasmodium vivax vivapain-2 0.016 0.4624 1
Loa Loa (eye worm) cysteine protease 0.016 0.4624 0.4577
Loa Loa (eye worm) hypothetical protein 0.011 0.311 0.3049
Giardia lamblia Cathepsin B precursor 0.013 0.3706 1
Brugia malayi Carboxylesterase family protein 0.0154 0.4439 0.4392
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.005 0.1276 0.1203
Toxoplasma gondii cathepsin CPL 0.016 0.4624 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0026 0.0552 0.053
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.0037 0.0888 0.1921
Onchocerca volvulus Cathepsin L homolog 0.0037 0.0888 0.0827
Loa Loa (eye worm) carboxylesterase 0.0026 0.0552 0.0468
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0037 0.0888 0.0867
Echinococcus multilocularis acetylcholinesterase 0.0154 0.4439 0.4426
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0087 0.2403 0.5196
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.034 0.0318
Loa Loa (eye worm) hypothetical protein 0.011 0.311 0.3049
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.016 0.4624 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0552 0.0468
Trypanosoma cruzi cysteine peptidase, putative 0.016 0.4624 0.41
Brugia malayi cathepsin Z-like cysteine proteinase 0.0037 0.0888 0.0812
Echinococcus granulosus para nitrobenzyl esterase 0.0026 0.0552 0.053
Loa Loa (eye worm) hypothetical protein 0.0019 0.034 0.0255
Brugia malayi Cathepsin L-like precursor 0.016 0.4624 0.4579
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1591 0.152
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0037 0.0888 0.0867
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1997 0.1978
Loa Loa (eye worm) hypothetical protein 0.0154 0.4439 0.439
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.016 0.4624 1
Echinococcus granulosus cathepsin L 0.0087 0.2403 0.2385
Loa Loa (eye worm) hypothetical protein 0.005 0.1276 0.1199
Plasmodium vivax vivapain-3 0.0087 0.2403 0.4054
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0087 0.2403 0.1662
Echinococcus granulosus cysteine protease 0.0087 0.2403 0.2385
Schistosoma mansoni neuroligin 3 (S09 family) 0.0026 0.0552 0.053
Brugia malayi Cathepsin L-like precursor 0.016 0.4624 0.4579
Schistosoma mansoni ferritin light chain 0.001 0.0072 0.0049
Schistosoma mansoni cathepsin F (C01 family) 0.011 0.311 0.3094
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0337 1 1
Entamoeba histolytica cysteine protease, putative 0.0087 0.2403 0.4054
Trypanosoma cruzi cysteine peptidase, putative 0.016 0.4624 0.41
Plasmodium vivax vivapain-1 0.0087 0.2403 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0087 0.2403 0.5196
Echinococcus multilocularis acetylcholinesterase 0.0154 0.4439 0.4426
Brugia malayi Papain family cysteine protease containing protein 0.0037 0.0888 0.0812
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0037 0.0888 0.1921
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.016 0.4624 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.013 0.3706 0.3692
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.016 0.4624 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0552 0.0468
Leishmania major cathepsin L-like protease 0.016 0.4624 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.016 0.4624 1
Brugia malayi hypothetical protein 0.0026 0.0552 0.0472
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.016 0.4624 1
Leishmania major cathepsin L-like protease 0.016 0.4624 1
Entamoeba histolytica cysteine proteinase, putative 0.011 0.311 0.5946
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0026 0.0552 0.1193
Brugia malayi Cathepsin L-like precursor 0.011 0.311 0.3052
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.013 0.3706 0.3093
Echinococcus granulosus GPCR family 2 0.0019 0.034 0.0318
Loa Loa (eye worm) hypothetical protein 0.016 0.4624 0.4577
Schistosoma mansoni ferritin 0.001 0.0072 0.0049
Plasmodium falciparum cysteine proteinase falcipain 3 0.016 0.4624 1
Loa Loa (eye worm) hypothetical protein 0.0154 0.4439 0.439
Onchocerca volvulus Cathepsin L homolog 0.016 0.4624 1
Brugia malayi Carboxylesterase family protein 0.0026 0.0552 0.0472
Entamoeba histolytica cysteine protease, putative 0.0087 0.2403 0.4054
Plasmodium vivax unspecified product 0.0087 0.2403 0.4054
Onchocerca volvulus 0.0035 0.0815 0.0647
Echinococcus multilocularis cathepsin l cysteine peptidase 0.016 0.4624 0.4612
Entamoeba histolytica cysteine protease, putative 0.0087 0.2403 0.4054
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0037 0.0888 0.0867
Brugia malayi Papain family cysteine protease containing protein 0.016 0.4624 0.4579
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.016 0.4624 1
Trypanosoma cruzi cysteine protease, putative 0.0087 0.2403 0.1662
Leishmania major cathepsin L-like protease 0.016 0.4624 1
Brugia malayi Cathepsin L-like precursor 0.005 0.1276 0.1203
Loa Loa (eye worm) hypothetical protein 0.005 0.1276 0.1199
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0087 0.0064
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.016 0.4624 1
Echinococcus granulosus ferritin 0.001 0.0072 0.0049
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.016 0.4624 1
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0037 0.0888 0.0808
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0037 0.0888 0.0867
Echinococcus granulosus cathepsin b 0.0337 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.016 0.4624 1
Trypanosoma cruzi cruzipain precursor, putative 0.005 0.1276 0.0425
Entamoeba histolytica cysteine proteinase, putative 0.0087 0.2403 0.4054
Leishmania major cathepsin L-like protease 0.016 0.4624 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0026 0.0552 0.053
Echinococcus granulosus cathepsin l1 0.011 0.311 0.3094
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.016 0.4624 1
Entamoeba histolytica cysteine proteinase, putative 0.0087 0.2403 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.016 0.4624 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0037 0.0888 0.1921
Onchocerca volvulus 0.016 0.4624 1
Loa Loa (eye worm) cathepsin B 0.013 0.3706 0.3651
Treponema pallidum bacterioferrin (TpF1) 0.001 0.0072 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.0888 0.0808
Brugia malayi Cathepsin L-like precursor 0.016 0.4624 0.4579
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.011 0.311 0.6725
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0037 0.0888 0.1921
Loa Loa (eye worm) carboxylesterase 0.0154 0.4439 0.439
Echinococcus multilocularis cathepsin l cysteine peptidase 0.016 0.4624 0.4612
Schistosoma mansoni acetylcholinesterase 0.0026 0.0552 0.053
Entamoeba histolytica cysteine protease, putative 0.0087 0.2403 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0087 0.2403 0.4054
Echinococcus multilocularis ferritin 0.001 0.0072 0.0049
Brugia malayi Cathepsin L-like precursor 0.016 0.4624 0.4579
Echinococcus granulosus cathepsin b 0.0337 1 1
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.001 0.0072 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.0888 0.0808
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0026 0.0552 0.053
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1591 0.1517
Brugia malayi Latrophilin receptor protein 2 0.0019 0.034 0.0259
Plasmodium falciparum cysteine proteinase falcipain 1 0.0087 0.2403 0.4054
Brugia malayi cathepsin F-like cysteine proteinase 0.005 0.1276 0.1203
Echinococcus multilocularis neuroligin 0.0026 0.0552 0.053
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.016 0.4624 1
Entamoeba histolytica cysteine proteinase, putative 0.016 0.4624 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0888 0.0808
Plasmodium falciparum cysteine proteinase falcipain 2a 0.016 0.4624 1
Leishmania major cysteine peptidase A (CPA) 0.016 0.4624 1
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0037 0.0888 0.0812
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0037 0.0888 0.0867
Echinococcus granulosus neuroligin 0.0026 0.0552 0.053
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0026 0.0552 1
Echinococcus multilocularis cathepsin b 0.0337 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.016 0.4624 0.4612
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0154 0.4439 0.4426
Echinococcus multilocularis cysteine protease 0.016 0.4624 0.4612
Giardia lamblia Cathepsin B precursor 0.013 0.3706 1
Loa Loa (eye worm) carboxylesterase 0.0026 0.0552 0.0468
Loa Loa (eye worm) papain family cysteine protease containing protein 0.016 0.4624 0.4577
Loa Loa (eye worm) hypothetical protein 0.0037 0.0888 0.0808
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.011 0.311 0.2438
Onchocerca volvulus Cathepsin F homolog 0.016 0.4624 1
Schistosoma mansoni ferritin 0.001 0.0072 0.0049
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.016 0.4624 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.034 0.0318
Echinococcus multilocularis GPCR, family 2 0.0019 0.034 0.0318
Echinococcus multilocularis cathepsin L cysteine protease 0.016 0.4624 0.4612
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0037 0.0888 0.1921
Mycobacterium ulcerans carboxylesterase, LipT 0.0026 0.0552 1
Brugia malayi Papain family cysteine protease containing protein 0.0037 0.0888 0.0812
Echinococcus multilocularis cathepsin L 0.0087 0.2403 0.2385
Loa Loa (eye worm) hypothetical protein 0.0037 0.0888 0.0808
Schistosoma mansoni hypothetical protein 0.0019 0.034 0.0318
Schistosoma mansoni cpg binding protein 0.0037 0.0875 0.0854
Loa Loa (eye worm) papain family cysteine protease containing protein 0.005 0.1276 0.1199
Entamoeba histolytica cysteine protease, putative 0.0087 0.2403 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.0037 0.0888 0.1921
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.016 0.4624 1
Trypanosoma cruzi cruzipain precursor, putative 0.016 0.4624 0.41
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.016 0.4624 1
Echinococcus granulosus cpg binding protein 0.0037 0.0875 0.0854
Leishmania major cathepsin L-like protease 0.016 0.4624 1
Schistosoma mansoni hypothetical protein 0.0019 0.034 0.0318
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.016 0.4624 1
Brugia malayi cathepsin Z-like cysteine proteinase 0.0037 0.0888 0.0812
Loa Loa (eye worm) hypothetical protein 0.0337 1 1
Onchocerca volvulus 0.016 0.4624 1
Brugia malayi cathepsin L-like cysteine proteinase 0.0037 0.0888 0.0812
Giardia lamblia Cathepsin B precursor 0.013 0.3706 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.016 0.4624 1
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0888 0.1921
Loa Loa (eye worm) acetylcholinesterase 1 0.0154 0.4439 0.439
Schistosoma mansoni hypothetical protein 0.0019 0.034 0.0318
Trypanosoma brucei cysteine peptidase C (CPC) 0.013 0.3706 0.5868
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.016 0.4624 1
Schistosoma mansoni cpg binding protein 0.0037 0.0875 0.0854
Entamoeba histolytica cysteine protease, putative 0.0087 0.2403 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.016 0.4624 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.1758 0.2328
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0037 0.0888 0.0867
Schistosoma mansoni ferritin light chain 0.001 0.0072 0.0049
Echinococcus granulosus expressed protein 0.001 0.0072 0.0049
Loa Loa (eye worm) hypothetical protein 0.0026 0.0552 0.0468
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0037 0.0888 0.0867
Schistosoma mansoni apoferritin-2 0.001 0.0072 0.0049
Echinococcus granulosus carboxylesterase 5A 0.0154 0.4439 0.4426
Entamoeba histolytica cysteine protease, putative 0.0087 0.2403 0.4054
Plasmodium vivax unspecified product 0.005 0.1276 0.1037
Onchocerca volvulus 0.011 0.311 0.6281
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0888 0.1921
Brugia malayi cathepsin L-like precursor 0.011 0.311 0.3052
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.016 0.4624 1
Echinococcus multilocularis cpg binding protein 0.0037 0.0875 0.0854
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.034 0.0318
Trypanosoma cruzi cysteine peptidase, putative 0.016 0.4624 0.41
Onchocerca volvulus 0.016 0.4624 1
Echinococcus multilocularis BC026374 protein (S09 family) 0.0026 0.0552 0.053
Onchocerca volvulus 0.016 0.4624 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0037 0.0888 0.1921
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.034 0.0259
Echinococcus granulosus cathepsin l cysteine peptidase 0.016 0.4624 0.4612
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.016 0.4624 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0552 0.0468
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0087 0.2403 0.2385
Loa Loa (eye worm) hypothetical protein 0.0026 0.0552 0.0468
Echinococcus granulosus acetylcholinesterase 0.0154 0.4439 0.4426
Schistosoma mansoni cathepsin F (C01 family) 0.016 0.4624 0.4612
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.016 0.4624 1
Entamoeba histolytica cysteine proteinase 2 0.0087 0.2403 0.4054
Schistosoma mansoni cathepsin S (C01 family) 0.0037 0.0888 0.0867
Mycobacterium tuberculosis Carboxylesterase LipT 0.0026 0.0552 1
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.0037 0.0888 0.1921
Plasmodium vivax vivapain-2 0.016 0.4624 1
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0337 1 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.1012 0.0933
Entamoeba histolytica cysteine proteinase, putative 0.016 0.4624 1
Echinococcus granulosus cathepsin L cysteine protease 0.0087 0.2403 0.2385
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.016 0.4624 1
Brugia malayi cathepsin L precursor 0.0037 0.0888 0.0812
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.034 0.0318
Entamoeba histolytica cysteine protease, putative 0.016 0.4624 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0026 0.0552 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.011 0.311 0.6725
Entamoeba histolytica cysteine protease, putative 0.0087 0.2403 0.4054
Schistosoma mansoni cathepsin B (C01 family) 0.0037 0.0888 0.0867
Brugia malayi Carboxylesterase family protein 0.0026 0.0552 0.0472
Echinococcus multilocularis para nitrobenzyl esterase 0.0026 0.0552 0.053
Trypanosoma cruzi cysteine proteinase, putative 0.0087 0.2403 0.1662
Loa Loa (eye worm) hypothetical protein 0.005 0.1276 0.1199
Trypanosoma cruzi cysteine peptidase, putative 0.005 0.1276 0.0425
Echinococcus multilocularis cysteine protease 0.016 0.4624 0.4612
Loa Loa (eye worm) ctsf protein 0.016 0.4624 0.4577
Schistosoma mansoni hypothetical protein 0.0041 0.1012 0.0991
Onchocerca volvulus 0.0037 0.0888 0.0827
Brugia malayi Carboxylesterase family protein 0.0154 0.4439 0.4392
Trichomonas vaginalis ferritin, putative 0.001 0.0072 0.0156
Schistosoma mansoni hypothetical protein 0.0019 0.034 0.0318
Entamoeba histolytica cysteine protease, putative 0.0087 0.2403 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0037 0.0888 0.1921
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.016 0.4624 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0037 0.0888 0.1921
Brugia malayi Cathepsin L-like precursor 0.016 0.4624 0.4579

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 1.122 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) = 7.0795 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) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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

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

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.