Detailed information for compound 1383949

Basic information

Technical information
  • TDR Targets ID: 1383949
  • Name: 2-(cyclohexyl-methylamino)-N-(3,4-dichlorophe nyl)acetamide; oxalic acid
  • MW: 405.273 | Formula: C17H22Cl2N2O5
  • H donors: 3 H acceptors: 5 LogP: 1.7 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(=O)O.O=C(Nc1ccc(c(c1)Cl)Cl)CN(C1CCCCC1)C
  • InChi: 1S/C15H20Cl2N2O.C2H2O4/c1-19(12-5-3-2-4-6-12)10-15(20)18-11-7-8-13(16)14(17)9-11;3-1(4)2(5)6/h7-9,12H,2-6,10H2,1H3,(H,18,20);(H,3,4)(H,5,6)
  • InChiKey: BOKAQDFNSAMZAJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(cyclohexyl-methyl-amino)-N-(3,4-dichlorophenyl)acetamide; oxalic acid
  • 2-(cyclohexyl-methyl-amino)-N-(3,4-dichlorophenyl)ethanamide; ethanedioic acid
  • 2-(Cyclohexyl-methyl-amino)-N-(3,4-dichloro-phenyl)-acetamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
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
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
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
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 mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus 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
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
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum Chromobox protein homolog 5, 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
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Onchocerca volvulus Heterochromatin protein 1 homolog 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
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
Loa Loa (eye worm) heterochromatin 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
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 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
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 %
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 0.0033 0.0477 0.0472
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0055 0.1151 0.3201
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0017 0.0017 0.0102
Echinococcus granulosus cathepsin b 0.0296 0.8316 1
Entamoeba histolytica hypothetical protein 0.004 0.0681 0.0675
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0906 0.0901
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0055 0.1151 0.1146
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1294 0.1551
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0017 0.0017 0.0014
Leishmania major cathepsin L-like protease 0.0055 0.1151 0.4444
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1294 0.1556
Echinococcus granulosus cathepsin l cysteine peptidase 0.0055 0.1151 0.1384
Trypanosoma cruzi cysteine peptidase, putative 0.0055 0.1151 0.1367
Entamoeba histolytica cysteine protease, putative 0.0033 0.0477 0.0472
Echinococcus granulosus multidrug resistance protein 1 0.0017 0.0005 0.0007
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0055 0.1151 0.1146
Schistosoma mansoni hypothetical protein 0.0019 0.007 0.0078
Entamoeba histolytica cysteine proteinase 2 0.0033 0.0477 0.0472
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0017 0.0017 0.0012
Echinococcus multilocularis voltage dependent calcium channel 0.0062 0.1352 0.1626
Echinococcus multilocularis multidrug resistance protein 1 0.0017 0.0005 0.0007
Brugia malayi hypothetical protein 0.004 0.0681 0.0812
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0055 0.1151 0.1146
Trichomonas vaginalis chromobox protein, putative 0.0084 0.2006 0.2002
Loa Loa (eye worm) fibroinase 0.0055 0.1151 0.1384
Onchocerca volvulus 0.0055 0.1151 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.4631 1
Trypanosoma cruzi cysteine peptidase, putative 0.0055 0.1151 0.1367
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0062 0.1352 0.1626
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0055 0.1151 0.1146
Loa Loa (eye worm) hypothetical protein 0.0017 0.0005 0.0007
Brugia malayi Papain family cysteine protease containing protein 0.0055 0.1151 0.1379
Toxoplasma gondii cathepsin CPC1 0.0017 0.0017 0.0045
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0055 0.1151 0.1146
Loa Loa (eye worm) hypothetical protein 0.0041 0.0728 0.0875
Echinococcus granulosus cathepsin l1 0.0055 0.1151 0.1384
Entamoeba histolytica cysteine protease, putative 0.0017 0.0017 0.0012
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0055 0.1151 0.1146
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0062 0.1352 0.1626
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0055 0.1151 0.1146
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0017 0.0017 0.0012
Echinococcus multilocularis chromobox protein 1 0.0084 0.2006 0.2412
Brugia malayi Latrophilin receptor protein 2 0.0019 0.007 0.0078
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0055 0.1151 0.3201
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0055 0.1151 0.1146
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0055 0.1151 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0017 0.0012
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0017 0.0017 0.0102
Loa Loa (eye worm) cysteine protease 0.0055 0.1151 0.1384
Onchocerca volvulus Cathepsin L homolog 0.0055 0.1151 1
Entamoeba histolytica cysteine protease, putative 0.0033 0.0477 0.0472
Schistosoma mansoni hypothetical protein 0.0019 0.007 0.0078
Entamoeba histolytica cysteine protease, putative 0.0017 0.0017 0.0012
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0017 0.0005 0.0007
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1294 0.1551
Plasmodium falciparum serine repeat antigen 6 0.0017 0.0017 0.0102
Plasmodium falciparum serine repeat antigen 2 0.0017 0.0017 0.0102
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0055 0.1151 0.1384
Toxoplasma gondii cathepsin CPC2 0.0017 0.0017 0.0045
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0055 0.1151 0.1146
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0017 0.0017 0.0012
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0497 0.0492
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0055 0.1151 0.3201
Trypanosoma cruzi cysteine peptidase, putative 0.0033 0.0477 0.0554
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0017 0.0017 0.0102
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0017 0.0017 0.0012
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.0017 0.0017 0.0012
Entamoeba histolytica cysteine protease, putative 0.0033 0.0477 0.0472
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0017 0.0005 0.0007
Echinococcus multilocularis sodium channel protein 0.0026 0.0288 0.0346
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0033 0.0477 0.0567
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0017 0.0017 0.0021
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0906 0.7863
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0681 0.0812
Plasmodium vivax serine-repeat antigen (SERA) 0.0017 0.0017 0.0102
Entamoeba histolytica cysteine protease, putative 0.0017 0.0017 0.0012
Entamoeba histolytica cysteine protease, putative 0.0033 0.0477 0.0472
Trichomonas vaginalis chromobox protein, putative 0.0051 0.1013 0.1008
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.2006 0.2412
Echinococcus multilocularis voltage dependent calcium channel 0.0062 0.1352 0.1626
Onchocerca volvulus Cathepsin L homolog 0.0017 0.0017 0.0102
Echinococcus granulosus GPCR family 2 0.0019 0.007 0.0085
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0033 0.0477 0.0472
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.004 0.0691 0.0813
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0033 0.0477 0.0567
Loa Loa (eye worm) hypothetical protein 0.004 0.0691 0.0832
Schistosoma mansoni hypothetical protein 0.0186 0.5046 0.6066
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0055 0.1151 0.1146
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0017 0.0017 0.0012
Echinococcus granulosus geminin 0.0186 0.5046 0.6068
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0104 0.2584 0.3102
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.0017 0.0017 0.0012
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0055 0.1151 0.3201
Loa Loa (eye worm) cathepsin B 0.0104 0.2584 0.3107
Loa Loa (eye worm) hypothetical protein 0.0047 0.0906 0.109
Echinococcus multilocularis multidrug resistance protein 1 0.0017 0.0005 0.0007
Schistosoma mansoni voltage-gated cation channel 0.0062 0.1352 0.162
Trypanosoma brucei cysteine peptidase C (CPC) 0.0104 0.2584 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.007 0.0085
Brugia malayi cathepsin L-like precursor 0.004 0.0691 0.0826
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0017 0.0017 0.0102
Toxoplasma gondii cathepsin CPL 0.0055 0.1151 0.4444
Brugia malayi Cathepsin L-like precursor 0.0055 0.1151 0.1379
Plasmodium vivax serine-repeat antigen (SERA) 0.0017 0.0017 0.0102
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0296 0.8316 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0296 0.8316 1
Echinococcus granulosus cathepsin L cysteine protease 0.0033 0.0477 0.0574
Entamoeba histolytica hypothetical protein 0.004 0.0681 0.0675
Echinococcus granulosus cathepsin l1 0.004 0.0691 0.0832
Schistosoma mansoni cathepsin F (C01 family) 0.0055 0.1151 0.1379
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0017 0.0012
Brugia malayi cathepsin Z-like cysteine proteinase 0.0017 0.0017 0.0014
Echinococcus granulosus cathepsin L cysteine proteinase 0.0055 0.1151 0.1384
Plasmodium falciparum serine repeat antigen 5 0.0017 0.0017 0.0102
Loa Loa (eye worm) hypothetical protein 0.0017 0.0017 0.0021
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0055 0.1151 1
Plasmodium vivax unspecified product 0.0017 0.0017 0.0102
Plasmodium falciparum serine repeat antigen 4 0.0017 0.0017 0.0102
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0017 0.0017 0.0014
Echinococcus granulosus chromobox protein 1 0.0084 0.2006 0.2412
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0017 0.0005 0.0007
Onchocerca volvulus 0.0055 0.1151 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0017 0.0005 0.0007
Echinococcus granulosus cathepsin L 0.0017 0.0017 0.0021
Onchocerca volvulus 0.0055 0.1151 1
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0062 0.1352 0.1626
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0055 0.1151 0.1146
Brugia malayi Papain family cysteine protease containing protein 0.0033 0.0477 0.0567
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0017 0.0017 0.0102
Brugia malayi Cathepsin L-like precursor 0.0055 0.1151 0.1379
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0681 0.0818
Brugia malayi Cathepsin L-like precursor 0.0055 0.1151 0.1379
Leishmania major cysteine peptidase A (CPA) 0.0055 0.1151 0.4444
Brugia malayi Cathepsin L-like cysteine proteinase 0.004 0.0691 0.0826
Leishmania major cathepsin L-like protease 0.0055 0.1151 0.4444
Echinococcus granulosus voltage dependent calcium channel 0.0062 0.1352 0.1626
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.4631 0.5
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0017 0.0012
Trypanosoma cruzi cysteine peptidase, putative 0.0055 0.1151 0.1367
Brugia malayi fibroinase precursor 0.0017 0.0017 0.0014
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.007 0.0085
Schistosoma mansoni cathepsin F (C01 family) 0.004 0.0691 0.0826
Echinococcus granulosus chromobox protein 1 0.0084 0.2006 0.2412
Entamoeba histolytica cysteine protease, putative 0.0033 0.0477 0.0472
Plasmodium vivax vivapain-2 0.0055 0.1151 1
Loa Loa (eye worm) ctsf protein 0.0055 0.1151 0.1384
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.3791 0.4559
Brugia malayi cathepsin F-like cysteine proteinase 0.0017 0.0017 0.0014
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0017 0.0014
Entamoeba histolytica cysteine protease, putative 0.0017 0.0017 0.0012
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0017 0.0017 0.0014
Onchocerca volvulus 0.0055 0.1151 1
Loa Loa (eye worm) calcium channel 0.0062 0.1352 0.1626
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0104 0.2584 1
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0017 0.0017 0.0102
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.0017 0.0017 0.0102
Brugia malayi Cathepsin L-like precursor 0.0055 0.1151 0.1379
Onchocerca volvulus Cathepsin L homolog 0.0055 0.1151 1
Brugia malayi Cathepsin L-like precursor 0.004 0.0691 0.0826
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0038 0.0628 0.0736
Loa Loa (eye worm) hypothetical protein 0.0037 0.0603 0.0726
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0497 0.0492
Brugia malayi Cathepsin L-like precursor 0.0055 0.1151 0.1379
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0296 0.8316 1
Entamoeba histolytica cysteine proteinase, putative 0.004 0.0691 0.0686
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0017 0.0017 0.0014
Brugia malayi chromobox protein homolog 3 0.0047 0.0906 0.1084
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0017 0.0012
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0062 0.1352 0.1626
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0038 0.0628 0.0717
Onchocerca volvulus Cathepsin F homolog 0.0055 0.1151 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0017 0.0017 0.0014
Schistosoma mansoni hypothetical protein 0.0186 0.5046 0.6066
Onchocerca volvulus 0.0037 0.0603 0.5218
Trichomonas vaginalis chromobox protein, putative 0.0051 0.1013 0.1008
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0055 0.1151 0.1146
Brugia malayi cathepsin B-like cysteine proteinase 0.0296 0.8316 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0055 0.1151 0.1146
Toxoplasma gondii cathepsin B 0.0104 0.2584 1
Echinococcus multilocularis cysteine protease 0.0055 0.1151 0.1384
Loa Loa (eye worm) hypothetical protein 0.0017 0.0017 0.0021
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0055 0.1151 0.1146
Entamoeba histolytica hypothetical protein 0.0017 0.0017 0.0012
Schistosoma mansoni cathepsin B (C01 family) 0.0017 0.0017 0.0014
Onchocerca volvulus 0.0055 0.1151 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0005 0.0007
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0055 0.1151 0.3201
Leishmania major cathepsin L-like protease 0.0055 0.1151 0.4444
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0055 0.1151 0.1146
Entamoeba histolytica cysteine protease, putative 0.0033 0.0477 0.0472
Echinococcus granulosus multidrug resistance protein 1 0.0017 0.0005 0.0007
Schistosoma mansoni hypothetical protein 0.0019 0.007 0.0078
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0055 0.1151 0.1146
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0017 0.0017 0.0014
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0055 0.1151 0.1384
Trypanosoma cruzi cysteine peptidase, putative 0.0055 0.1151 0.1367
Entamoeba histolytica cysteine protease, putative 0.0033 0.0477 0.0472
Schistosoma mansoni hypothetical protein 0.0041 0.0728 0.0869
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0055 0.1151 0.1146
Loa Loa (eye worm) hypothetical protein 0.004 0.0691 0.0832
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Plasmodium falciparum serine repeat antigen 3 0.0017 0.0017 0.0102
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0055 0.1151 0.1146
Trypanosoma cruzi cruzipain precursor, putative 0.0055 0.1151 0.1367
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0033 0.0477 0.0567
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0017 0.0017 0.0014
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0681 0.0818
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.4631 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0017 0.0012
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0017 0.0017 0.0012
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0017 0.0017 0.0014
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0062 0.1352 0.1626
Plasmodium falciparum cysteine proteinase falcipain 3 0.0055 0.1151 1
Schistosoma mansoni chromobox protein 0.0084 0.2006 0.2407
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.007 0.0085
Plasmodium vivax vivapain-3 0.0033 0.0477 0.4115
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0055 0.1151 0.1384
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0026 0.0288 0.0346
Entamoeba histolytica cysteine proteinase 1, putative 0.0033 0.0477 0.0472
Entamoeba histolytica cysteine proteinase, putative 0.0055 0.1151 0.1146
Brugia malayi Cathepsin L-like precursor 0.004 0.0691 0.0826
Giardia lamblia Cathepsin B precursor 0.0104 0.2584 0.2571
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0055 0.1151 0.3201
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.0017 0.0017 0.0012
Echinococcus granulosus multidrug resistance protein 1 0.0017 0.0005 0.0007
Entamoeba histolytica cysteine proteinase, putative 0.0055 0.1151 0.1146
Echinococcus granulosus cathepsin b 0.0296 0.8316 1
Entamoeba histolytica cysteine protease, putative 0.0055 0.1151 0.1146
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0055 0.1151 0.3201
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.007 0.0085
Schistosoma mansoni hypothetical protein 0.0019 0.007 0.0078
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0017 0.0012
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0017 0.0012
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0055 0.1151 0.3201
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0017 0.0017 0.0014
Trypanosoma cruzi cysteine protease, putative 0.0033 0.0477 0.0554
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0055 0.1151 0.1146
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0055 0.1151 0.1146
Giardia lamblia Cathepsin B precursor 0.0104 0.2584 0.2571
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0296 0.8316 1
Brugia malayi Papain family cysteine protease containing protein 0.0033 0.0477 0.0567
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0055 0.1151 0.3201
Loa Loa (eye worm) hypothetical protein 0.006 0.1294 0.1556
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0017 0.0017 0.0021
Brugia malayi Cathepsin L-like precursor 0.0055 0.1151 0.1379
Entamoeba histolytica cysteine protease, putative 0.0033 0.0477 0.0472
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0055 0.1151 0.3201
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0055 0.1151 0.1146
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.004 0.0691 0.0686
Schistosoma mansoni hypothetical protein 0.004 0.0681 0.0812
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0062 0.1352 0.1626
Echinococcus multilocularis cysteine protease 0.0055 0.1151 0.1384
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0017 0.0005 0.0007
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0017 0.0005 0.0007
Trypanosoma cruzi cysteine proteinase, putative 0.0033 0.0477 0.0554
Loa Loa (eye worm) hypothetical protein 0.0296 0.8316 1
Echinococcus multilocularis chromobox protein 1 0.0084 0.2006 0.2412
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0055 0.1151 0.1146
Entamoeba histolytica cysteine protease, putative 0.0017 0.0017 0.0012
Schistosoma mansoni cathepsin F (C01 family) 0.0055 0.1151 0.1379
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Plasmodium vivax unspecified product 0.0033 0.0477 0.4115
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.1013 0.8792
Loa Loa (eye worm) hypothetical protein 0.0062 0.1352 0.1626
Leishmania major cathepsin L-like protease 0.0055 0.1151 0.4444
Giardia lamblia Cathepsin B precursor 0.0104 0.2584 0.2571
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0055 0.1151 0.3201
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0017 0.0017 0.0021
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0062 0.1352 0.162
Entamoeba histolytica cysteine proteinase, putative 0.0033 0.0477 0.0472
Schistosoma mansoni chromobox protein 0.0084 0.2006 0.2407
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0104 0.2584 0.3093
Entamoeba histolytica cysteine proteinase, putative 0.0033 0.0477 0.0472
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0017 0.0005 0.0007
Loa Loa (eye worm) hypothetical protein 0.0055 0.1151 0.1384
Brugia malayi cathepsin Z-like cysteine proteinase 0.0017 0.0017 0.0014
Echinococcus multilocularis cathepsin b 0.0296 0.8316 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0017 0.0005 0.0007
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0017 0.0017 0.0102
Brugia malayi Heterochromatin protein 1 0.0084 0.2006 0.2407
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0017 0.0014
Echinococcus multilocularis cathepsin L cysteine protease 0.0055 0.1151 0.1384
Schistosoma mansoni cathepsin S (C01 family) 0.0017 0.0017 0.0014
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0055 0.1151 0.1146
Echinococcus multilocularis geminin 0.0186 0.5046 0.6068
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0062 0.1352 0.1626
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0017 0.0017 0.0102
Leishmania major cathepsin L-like protease 0.0055 0.1151 0.4444
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0017 0.0017 0.0102
Echinococcus multilocularis cathepsin b 0.0296 0.8316 1
Entamoeba histolytica cysteine protease, putative 0.0033 0.0477 0.0472
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.007 0.0085
Brugia malayi MH2 domain containing protein 0.0144 0.3791 0.4556
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0017 0.0012
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0017 0.0012
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0017 0.0017 0.0102
Echinococcus multilocularis GPCR, family 2 0.0019 0.007 0.0085
Plasmodium vivax vivapain-1 0.0033 0.0477 0.4115
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Plasmodium falciparum cysteine proteinase falcipain 1 0.0033 0.0477 0.4115
Treponema pallidum fructose-bisphosphate aldolase 0.0353 1 0.5
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0017 0.0014
Onchocerca volvulus 0.004 0.0691 0.5987
Echinococcus multilocularis cathepsin L 0.0017 0.0017 0.0021
Plasmodium falciparum serine repeat antigen 1 0.0017 0.0017 0.0102
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0104 0.2584 0.258
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0017 0.0012
Trichomonas vaginalis chromobox protein, putative 0.0084 0.2006 0.2002
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0062 0.1352 0.162
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0017 0.0005 0.5
Entamoeba histolytica cysteine protease, putative 0.0033 0.0477 0.0472
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0062 0.1352 0.162
Leishmania major cathepsin L-like protease 0.0055 0.1151 0.4444
Plasmodium falciparum serine repeat antigen 7 0.0017 0.0017 0.0102
Loa Loa (eye worm) hypothetical protein 0.0017 0.0017 0.0021
Loa Loa (eye worm) hypothetical protein 0.0017 0.0017 0.0021
Plasmodium falciparum serine repeat antigen 9 0.0017 0.0017 0.0102
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0017 0.0005 0.0007
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.0477 0.0472
Echinococcus multilocularis cathepsin L cysteine protease 0.0055 0.1151 0.1384
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.007 0.0078
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0728 0.0869
Loa Loa (eye worm) multidrug resistance protein 3 0.0017 0.0005 0.0007
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0055 0.1151 0.1146
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0055 0.1151 0.1384
Echinococcus multilocularis cathepsin L 0.0033 0.0477 0.0574
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0017 0.0017 0.0102
Entamoeba histolytica cysteine protease, putative 0.0017 0.0017 0.0012
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.0017 0.0017 0.0012
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0906 0.0901
Plasmodium vivax vivapain-2 0.0055 0.1151 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.007 0.0085
Brugia malayi cathepsin L precursor 0.0017 0.0017 0.0014
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0033 0.0477 0.0554
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0017 0.0005 0.0007
Onchocerca volvulus 0.0017 0.0017 0.0102
Entamoeba histolytica hypothetical protein 0.004 0.0681 0.0675
Entamoeba histolytica cysteine protease, putative 0.0033 0.0477 0.0472
Toxoplasma gondii preprocathepsin c precursor, putative 0.0017 0.0017 0.0045
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.3791 0.4559
Entamoeba histolytica cysteine proteinase, putative 0.0033 0.0477 0.0472
Echinococcus granulosus cysteine protease 0.0033 0.0477 0.0574
Trypanosoma cruzi cysteine proteinase, putative 0.0033 0.0477 0.0554
Echinococcus granulosus cathepsin L 0.0033 0.0477 0.0574
Loa Loa (eye worm) hypothetical protein 0.0017 0.0017 0.0021
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0017 0.0012
Brugia malayi cathepsin L-like cysteine proteinase 0.0017 0.0017 0.0014
Entamoeba histolytica cysteine protease, putative 0.0033 0.0477 0.0472
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.004 0.0691 0.0686
Entamoeba histolytica cysteine protease, putative 0.0033 0.0477 0.0472
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0017 0.0017 0.0014
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.0017 0.0017 0.0102
Loa Loa (eye worm) hypothetical protein 0.004 0.0691 0.0832
Onchocerca volvulus 0.0055 0.1151 1
Onchocerca volvulus 0.0055 0.1151 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0017 0.0021
Schistosoma mansoni cathepsin C 0.0017 0.0017 0.0014
Entamoeba histolytica hypothetical protein 0.004 0.0681 0.0675
Leishmania major cathepsin L-like protease 0.0055 0.1151 0.4444
Leishmania major cathepsin L-like protease 0.0055 0.1151 0.4444
Plasmodium falciparum serine repeat antigen 8 0.0017 0.0017 0.0102
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0055 0.1151 0.1146
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0296 0.8316 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.9433 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 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) = 14.1254 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) 14.1254 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 (binding) = 22.3872 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) 22.3872 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) 22.3872 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) 35.4813 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) 50.1187 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

Species name Source Reference Is orphan
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.

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