Detailed information for compound 1402746

Basic information

Technical information
  • TDR Targets ID: 1402746
  • Name: 1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]pip erazine; oxalic acid
  • MW: 380.478 | Formula: C20H32N2O5
  • H donors: 3 H acceptors: 4 LogP: -1.33 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(=O)O.Cc1ccc(c(c1)OCCCCN1CCNCC1)C(C)C
  • InChi: 1S/C18H30N2O.C2H2O4/c1-15(2)17-7-6-16(3)14-18(17)21-13-5-4-10-20-11-8-19-9-12-20;3-1(4)2(5)6/h6-7,14-15,19H,4-5,8-13H2,1-3H3;(H,3,4)(H,5,6)
  • InChiKey: LHBKCEWRYMAMPI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[4-(2-isopropyl-5-methyl-phenoxy)butyl]piperazine; oxalic acid
  • 1-[4-(2-isopropyl-5-methylphenoxy)butyl]piperazine; oxalic acid
  • ethanedioic acid; 1-[4-(5-methyl-2-propan-2-yl-phenoxy)butyl]piperazine
  • 1-[4-(2-isopropyl-5-methylphenoxy)butyl]piperazine oxalate
  • MLS001164563
  • SMR000497728

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0059 0.0389 0.0379
Onchocerca volvulus Cathepsin F homolog 0.0239 0.3366 0.8117
Onchocerca volvulus Cathepsin L homolog 0.0239 0.3366 0.8117
Brugia malayi cathepsin Z-like cysteine proteinase 0.0059 0.0389 0.0389
Trypanosoma cruzi cruzipain precursor, putative 0.0239 0.3366 0.3097
Plasmodium vivax vivapain-1 0.0132 0.1596 0.4741
Brugia malayi jmjC domain containing protein 0.0115 0.1324 0.1324
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0132 0.1596 0.2766
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0059 0.0389 0.1156
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0257 0.0619
Brugia malayi Cathepsin L-like cysteine proteinase 0.0166 0.2159 0.2159
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0239 0.3366 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0239 0.3361 0.3093
Plasmodium falciparum serine repeat antigen 8 0.0059 0.0389 0.1156
Echinococcus multilocularis cathepsin L 0.0059 0.0389 0.0389
Giardia lamblia Cysteine protease 0.0059 0.0389 0.0741
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0059 0.0389 0.0379
Loa Loa (eye worm) hypothetical protein 0.0166 0.2159 0.2159
Giardia lamblia Cysteine protease 0.0059 0.0389 0.0741
Trypanosoma cruzi cysteine peptidase, putative 0.0239 0.3366 0.3097
Echinococcus granulosus cathepsin L cysteine protease 0.0132 0.1596 0.1596
Plasmodium falciparum cysteine proteinase falcipain 1 0.0132 0.1596 0.4741
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0239 0.3366 1
Leishmania major cathepsin L-like protease 0.0239 0.3366 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0059 0.0389 0.0389
Plasmodium falciparum serine repeat antigen 2 0.0059 0.0389 0.1156
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0059 0.0389 0.0379
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0014 0.0014
Brugia malayi Cathepsin L-like precursor 0.0239 0.3366 0.3366
Entamoeba histolytica cysteine protease, putative 0.0132 0.1596 0.2482
Echinococcus granulosus geminin 0.0205 0.2801 0.2801
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.0059 0.0389 0.0379
Entamoeba histolytica cysteine protease, putative 0.0132 0.1596 0.2482
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.5252 1
Schistosoma mansoni cathepsin B (C01 family) 0.0059 0.0389 0.0389
Giardia lamblia Cathepsin B precursor 0.0239 0.3361 0.64
Entamoeba histolytica cysteine protease, putative 0.0132 0.1596 0.2482
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0059 0.0389 0.0741
Brugia malayi cathepsin L precursor 0.0059 0.0389 0.0389
Onchocerca volvulus 0.005 0.0242 0.0583
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0098 0.0098
Plasmodium vivax unspecified product 0.0073 0.0625 0.1857
Loa Loa (eye worm) cathepsin B 0.0239 0.3361 0.3361
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0239 0.3366 0.6268
Entamoeba histolytica cysteine proteinase, putative 0.0132 0.1596 0.2482
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.5252 1
Onchocerca volvulus 0.0286 0.4147 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0413 0.0413
Plasmodium falciparum cysteine proteinase falcipain 3 0.0239 0.3366 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0239 0.3366 0.3366
Schistosoma mansoni chromobox protein 0.0084 0.0809 0.0809
Loa Loa (eye worm) hypothetical protein 0.0073 0.0625 0.0625
Echinococcus multilocularis cathepsin L 0.0132 0.1596 0.1596
Leishmania major cathepsin L-like protease 0.0239 0.3366 1
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0059 0.0389 0.1156
Entamoeba histolytica cysteine protease, putative 0.0132 0.1596 0.2482
Onchocerca volvulus 0.0059 0.0389 0.0938
Plasmodium vivax vivapain-2 0.0239 0.3366 1
Onchocerca volvulus 0.0239 0.3366 0.8117
Trypanosoma brucei cysteine peptidase C (CPC) 0.0239 0.3361 0.9975
Entamoeba histolytica cysteine proteinase, putative 0.0132 0.1596 0.2482
Entamoeba histolytica cysteine protease, putative 0.0132 0.1596 0.2482
Loa Loa (eye worm) hypothetical protein 0.0239 0.3366 0.3366
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0239 0.3366 0.6268
Schistosoma mansoni hypothetical protein 0.0205 0.2801 0.2801
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0059 0.0389 0.0379
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0198 0.0477
Giardia lamblia Cathepsin L precursor 0.0059 0.0389 0.0741
Loa Loa (eye worm) hypothetical protein 0.0059 0.0389 0.0389
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0239 0.3366 0.6268
Trypanosoma cruzi cysteine peptidase, putative 0.0132 0.1596 0.1256
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0239 0.3366 0.6268
Loa Loa (eye worm) hypothetical protein 0.0059 0.0389 0.0389
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0166 0.2159 0.388
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0239 0.3366 0.6268
Giardia lamblia Cathepsin B precursor 0.0059 0.0389 0.0741
Trypanosoma cruzi cysteine proteinase, putative 0.0132 0.1596 0.1256
Brugia malayi Cathepsin L-like precursor 0.0239 0.3366 0.3366
Plasmodium falciparum serine repeat antigen 6 0.0059 0.0389 0.1156
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.5252 1
Giardia lamblia Cathepsin L-like protease 0.0059 0.0389 0.0741
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0239 0.3366 0.3366
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0239 0.3366 0.6268
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.2268 0.5
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0059 0.0389 0.0389
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0059 0.0389 0.0379
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0239 0.3366 1
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.0059 0.0389 0.0379
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.5252 1
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0059 0.0389 0.1156
Entamoeba histolytica cysteine protease, putative 0.0132 0.1596 0.2482
Loa Loa (eye worm) cysteine protease 0.0239 0.3366 0.3366
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0239 0.3366 0.6268
Loa Loa (eye worm) hypothetical protein 0.0059 0.0389 0.0389
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0239 0.3366 0.6268
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0059 0.0389 0.1156
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0059 0.0389 0.1156
Onchocerca volvulus 0.0239 0.3366 0.8117
Plasmodium falciparum serine repeat antigen 1 0.0059 0.0389 0.1156
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0059 0.0389 0.0389
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0239 0.3366 0.6268
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0239 0.3366 0.6268
Brugia malayi Cathepsin L-like precursor 0.0239 0.3366 0.3366
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.0059 0.0389 0.0379
Loa Loa (eye worm) fibroinase 0.0239 0.3366 0.3366
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.5252 1
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0059 0.0389 0.1156
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0014 0.0014
Entamoeba histolytica cysteine proteinase, putative 0.0239 0.3366 0.6121
Plasmodium vivax vivapain-2 0.0239 0.3366 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.5252 1
Trichomonas vaginalis conserved hypothetical protein 0.0059 0.0389 0.0379
Giardia lamblia Cathepsin L precursor 0.0059 0.0389 0.0741
Plasmodium vivax SET domain protein, putative 0.0036 0.0014 0.0041
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0239 0.3366 0.6268
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0239 0.3361 0.6259
Giardia lamblia Cathepsin B precursor 0.0059 0.0389 0.0741
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0059 0.0389 0.0389
Entamoeba histolytica cysteine protease, putative 0.0132 0.1596 0.2482
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0239 0.3366 0.6268
Schistosoma mansoni cathepsin C 0.0059 0.0389 0.0389
Plasmodium vivax unspecified product 0.0059 0.0389 0.1156
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.5252 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0413 0.0413
Brugia malayi Cathepsin L-like precursor 0.0239 0.3366 0.3366
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0014 0.0014
Giardia lamblia Cathepsin B precursor 0.0059 0.0389 0.0741
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0059 0.0389 0.0741
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0059 0.0389 0.1156
Toxoplasma gondii preprocathepsin c precursor, putative 0.0059 0.0389 0.1156
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0059 0.0389 0.0379
Brugia malayi cathepsin F-like cysteine proteinase 0.0073 0.0625 0.0625
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.5252 1
Onchocerca volvulus Cathepsin L homolog 0.0059 0.0389 0.0938
Loa Loa (eye worm) hypothetical protein 0.0166 0.2159 0.2159
Plasmodium falciparum serine repeat antigen 4 0.0059 0.0389 0.1156
Brugia malayi Papain family cysteine protease containing protein 0.0132 0.1596 0.1596
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.1324 0.1324
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.0059 0.0389 0.1156
Giardia lamblia Cathepsin L-like protease 0.0059 0.0389 0.0741
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0059 0.0389 0.0389
Schistosoma mansoni hypothetical protein 0.0205 0.2801 0.2801
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.5252 0.5
Plasmodium falciparum serine repeat antigen 7 0.0059 0.0389 0.1156
Echinococcus multilocularis cysteine protease 0.0239 0.3366 0.3366
Giardia lamblia Cysteine protease 0.0059 0.0389 0.0741
Giardia lamblia Encystation-specific protease 0.0059 0.0389 0.0741
Plasmodium falciparum serine repeat antigen 3 0.0059 0.0389 0.1156
Echinococcus granulosus cysteine protease 0.0132 0.1596 0.1596
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0239 0.3366 1
Giardia lamblia Cysteine protease 0.0059 0.0389 0.0741
Brugia malayi Pre-SET motif family protein 0.0036 0.0014 0.0014
Schistosoma mansoni hypothetical protein 0.0041 0.0098 0.0098
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0059 0.0389 0.0379
Leishmania major cathepsin L-like protease 0.0239 0.3366 1
Onchocerca volvulus 0.0239 0.3366 0.8117
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0059 0.0389 0.0389
Loa Loa (eye worm) hypothetical protein 0.0047 0.0198 0.0198
Echinococcus multilocularis chromobox protein 1 0.0084 0.0809 0.0809
Loa Loa (eye worm) hypothetical protein 0.006 0.0413 0.0413
Echinococcus granulosus chromobox protein 1 0.0084 0.0809 0.0809
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.3573 0.3573
Entamoeba histolytica cysteine proteinase, putative 0.0132 0.1596 0.2482
Plasmodium vivax vivapain-3 0.0132 0.1596 0.4741
Brugia malayi cathepsin L-like precursor 0.0166 0.2159 0.2159
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0257 0.0117
Schistosoma mansoni cathepsin S (C01 family) 0.0059 0.0389 0.0389
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0239 0.3366 0.3366
Brugia malayi Papain family cysteine protease containing protein 0.0059 0.0389 0.0389
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0059 0.0389 0.0379
Trypanosoma cruzi cysteine peptidase, putative 0.0073 0.0625 0.0245
Brugia malayi Papain family cysteine protease containing protein 0.0239 0.3366 0.3366
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0228 0.0228
Loa Loa (eye worm) hypothetical protein 0.0059 0.0389 0.0389
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.0059 0.0389 0.0379
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0239 0.3366 0.6268
Onchocerca volvulus 0.0037 0.0029 0.007
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0059 0.0389 0.0389
Onchocerca volvulus Cathepsin L homolog 0.0239 0.3366 0.8117
Giardia lamblia Cathepsin B-like cysteine proteinase 3 precursor 0.0059 0.0389 0.0741
Echinococcus multilocularis geminin 0.0205 0.2801 0.2801
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0809 0.1209
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0239 0.3366 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0239 0.3366 0.3366
Giardia lamblia Cathepsin B precursor 0.0059 0.0389 0.0741
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0239 0.3366 0.6268
Leishmania major cathepsin L-like protease 0.0239 0.3366 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.062 0.062
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0132 0.1596 0.1256
Trypanosoma cruzi cysteine peptidase, putative 0.0239 0.3366 0.3097
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.0059 0.0389 0.1156
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0014 0.0014
Brugia malayi Cathepsin L-like precursor 0.0166 0.2159 0.2159
Brugia malayi Papain family cysteine protease containing protein 0.0132 0.1596 0.1596
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0239 0.3366 0.3366
Trichomonas vaginalis conserved hypothetical protein 0.0059 0.0389 0.0379
Brugia malayi Papain family cysteine protease containing protein 0.0059 0.0389 0.0389
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.005 0.0242 0.0242
Loa Loa (eye worm) hypothetical protein 0.0166 0.2159 0.2159
Leishmania major cathepsin L-like protease 0.0239 0.3366 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0239 0.3366 1
Echinococcus granulosus cathepsin L 0.0132 0.1596 0.1596
Trypanosoma cruzi cysteine peptidase, putative 0.0239 0.3366 0.3097
Schistosoma mansoni cathepsin F (C01 family) 0.0239 0.3366 0.3366
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0059 0.0389 0.1156
Echinococcus multilocularis cysteine protease 0.0239 0.3366 0.3366
Loa Loa (eye worm) hypothetical protein 0.0059 0.0389 0.0389
Entamoeba histolytica cysteine protease, putative 0.0132 0.1596 0.2482
Leishmania major cysteine peptidase A (CPA) 0.0239 0.3366 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0239 0.3366 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0059 0.0389 0.0379
Echinococcus multilocularis cathepsin L cysteine protease 0.0239 0.3366 0.3366
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0239 0.3366 0.6268
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0239 0.3366 0.6268
Trypanosoma cruzi cysteine peptidase, putative 0.0239 0.3366 0.3097
Entamoeba histolytica cysteine protease, putative 0.0132 0.1596 0.2482
Entamoeba histolytica cysteine protease, putative 0.0132 0.1596 0.2482
Brugia malayi Cathepsin L-like precursor 0.0239 0.3366 0.3366
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0059 0.0389 0.0389
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0059 0.0389 0.1156
Brugia malayi Papain family cysteine protease containing protein 0.0059 0.0389 0.0389
Echinococcus granulosus cathepsin l1 0.0166 0.2159 0.2159
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0059 0.0389 0.1156
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0239 0.3366 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.2268 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0014 0.0014
Toxoplasma gondii cathepsin CPC2 0.0059 0.0389 0.1156
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.5252 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0059 0.0389 0.0389
Plasmodium vivax unspecified product 0.0132 0.1596 0.4741
Brugia malayi cathepsin F-like cysteine proteinase 0.0059 0.0389 0.0389
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0059 0.0389 0.0389
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0122 0.0122
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0239 0.3366 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0014 0.0041
Entamoeba histolytica cysteine proteinase 1, putative 0.0132 0.1596 0.2482
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0059 0.0389 0.0741
Leishmania major cathepsin L-like protease 0.0239 0.3366 1
Giardia lamblia Cathepsin L precursor 0.0059 0.0389 0.0741
Brugia malayi cathepsin L-like cysteine proteinase 0.0059 0.0389 0.0389
Onchocerca volvulus 0.0239 0.3366 0.8117
Plasmodium falciparum serine repeat antigen 5 0.0059 0.0389 0.1156
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0059 0.0389 0.0389
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0059 0.0389 0.1156
Brugia malayi Cathepsin L-like precursor 0.0239 0.3366 0.3366
Toxoplasma gondii cathepsin B 0.0239 0.3361 0.9987
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.0809 0.0809
Loa Loa (eye worm) hypothetical protein 0.0036 0.0014 0.0014
Schistosoma mansoni cathepsin F (C01 family) 0.0239 0.3366 0.3366
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0239 0.3366 0.6268
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0132 0.1596 0.1596
Brugia malayi cathepsin Z-like cysteine proteinase 0.0059 0.0389 0.0389
Echinococcus granulosus cathepsin l1 0.0239 0.3366 0.3366
Echinococcus granulosus chromobox protein 1 0.0084 0.0809 0.0809
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0059 0.0389 0.0379
Plasmodium vivax serine-repeat antigen (SERA) 0.0059 0.0389 0.1156
Plasmodium falciparum serine repeat antigen 9 0.0059 0.0389 0.1156
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0932 0.0932
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0059 0.0389 0.0379
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0239 0.3366 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.5252 1
Echinococcus granulosus cathepsin L 0.0059 0.0389 0.0389
Giardia lamblia Cathepsin B precursor 0.0059 0.0389 0.0741
Onchocerca volvulus 0.0239 0.3366 0.8117
Brugia malayi Cathepsin L-like precursor 0.0073 0.0625 0.0625
Toxoplasma gondii cathepsin CPL 0.0239 0.3366 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0239 0.3366 0.6268
Toxoplasma gondii cathepsin CPC1 0.0059 0.0389 0.1156
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0166 0.2159 0.1842
Plasmodium vivax serine-repeat antigen (SERA) 0.0059 0.0389 0.1156
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.1324 0.1324
Trypanosoma cruzi cysteine proteinase, putative 0.0132 0.1596 0.1256
Giardia lamblia Cathepsin B precursor 0.0239 0.3361 0.64
Entamoeba histolytica cysteine proteinase, putative 0.0132 0.1596 0.2482
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0239 0.3366 0.6268
Giardia lamblia Hypothetical protein 0.0059 0.0389 0.0741
Entamoeba histolytica cysteine proteinase 2 0.0132 0.1596 0.2482
Brugia malayi fibroinase precursor 0.0059 0.0389 0.0389
Brugia malayi Heterochromatin protein 1 0.0084 0.0809 0.0809
Giardia lamblia Cathepsin B precursor 0.0239 0.3361 0.64
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0239 0.3366 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0239 0.3366 0.6268
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0413 0.0413
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.2268 0.5
Entamoeba histolytica cysteine proteinase, putative 0.0166 0.2159 0.364
Onchocerca volvulus 0.0166 0.2159 0.5207
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0239 0.3366 0.6268
Entamoeba histolytica cysteine protease, putative 0.0132 0.1596 0.2482
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0809 0.1209
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0122 0.0122
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0132 0.1596 0.2766
Loa Loa (eye worm) hypothetical protein 0.0073 0.0625 0.0625
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0059 0.0389 0.0379
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0257 0.0117
Leishmania major cathepsin L-like protease 0.0239 0.3366 1
Giardia lamblia Hypothetical protein 0.0059 0.0389 0.0741
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0228 0.0228
Entamoeba histolytica cysteine protease, putative 0.0132 0.1596 0.2482
Giardia lamblia Cathepsin L precursor 0.0059 0.0389 0.0741
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0122 0.0122
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0122 0.0122
Entamoeba histolytica cysteine proteinase, putative 0.0239 0.3366 0.6121
Giardia lamblia Cathepsin L precursor 0.0059 0.0389 0.0741
Loa Loa (eye worm) ctsf protein 0.0239 0.3366 0.3366
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0239 0.3366 0.6268
Onchocerca volvulus 0.0239 0.3366 0.8117
Loa Loa (eye worm) hypothetical protein 0.0041 0.0098 0.0098
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0059 0.0389 0.0379
Entamoeba histolytica cysteine protease, putative 0.0239 0.3366 0.6121
Brugia malayi Cathepsin L-like precursor 0.0166 0.2159 0.2159
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0122 0.0122
Giardia lamblia Cathepsin L precursor 0.0059 0.0389 0.0741
Entamoeba histolytica cysteine protease, putative 0.0132 0.1596 0.2482
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0059 0.0389 0.0389
Brugia malayi jmjC domain containing protein 0.0043 0.0122 0.0122
Onchocerca volvulus 0.0239 0.3366 0.8117
Leishmania major cathepsin L-like protease 0.0239 0.3366 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0239 0.3366 0.6268
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0014 0.0014
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0132 0.1596 0.1596
Loa Loa (eye worm) hypothetical protein 0.0059 0.0389 0.0389
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.5252 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0239 0.3366 0.3366
Schistosoma mansoni chromobox protein 0.0084 0.0809 0.0809
Trypanosoma cruzi cruzipain precursor, putative 0.0073 0.0625 0.0245
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0239 0.3366 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0029 0.0029
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0239 0.3361 0.3361
Trypanosoma cruzi cysteine protease, putative 0.0132 0.1596 0.1256
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0239 0.3366 0.6268
Trichomonas vaginalis set domain proteins, putative 0.0286 0.4147 0.7812
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0239 0.3366 1
Schistosoma mansoni cathepsin F (C01 family) 0.0166 0.2159 0.2159
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0059 0.0389 0.0389
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0239 0.3366 0.6268
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0073 0.0625 0.0625
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0073 0.0625 0.0625
Schistosoma mansoni cathepsin s 0.0073 0.0625 0.0625
Loa Loa (eye worm) hypothetical protein 0.006 0.0416 0.0416
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0166 0.2159 0.388
Brugia malayi Pre-SET motif family protein 0.0251 0.3573 0.3573
Echinococcus multilocularis cathepsin L cysteine protease 0.0239 0.3366 0.3366
Echinococcus multilocularis chromobox protein 1 0.0084 0.0809 0.0809
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0132 0.1596 0.1596
Brugia malayi chromobox protein homolog 3 0.0047 0.0198 0.0198
Loa Loa (eye worm) hypothetical protein 0.0073 0.0625 0.0625

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 87.91 uM PubChem BioAssay. Discovery of small molecule inhibitors of the oncogenic and cytokinetic protein MgcRacGAP - Primary and Confirmatory Screens. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.2387 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.9811 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 7.0795 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 11.2202 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) 12.5893 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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.