Detailed information for compound 1291043

Basic information

Technical information
  • TDR Targets ID: 1291043
  • Name: N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]c yclohexanecarboxamide
  • MW: 306.446 | Formula: C15H18N2OS2
  • H donors: 1 H acceptors: 2 LogP: 3.56 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCCCC1)NCc1csc(n1)c1cccs1
  • InChi: 1S/C15H18N2OS2/c18-14(11-5-2-1-3-6-11)16-9-12-10-20-15(17-12)13-7-4-8-19-13/h4,7-8,10-11H,1-3,5-6,9H2,(H,16,18)
  • InChiKey: DDPYWFUJHDDYKU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[[2-(2-thienyl)thiazol-4-yl]methyl]cyclohexanecarboxamide
  • N-[[2-(2-thienyl)-4-thiazolyl]methyl]cyclohexanecarboxamide
  • ZINC00131562
  • Maybridge3_006310
  • MLS000859815
  • N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}cyclohexanecarboxamide
  • SMR000460794
  • IDI1_017697

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens Niemann-Pick disease, type C1 Starlite/ChEMBL No references
Homo sapiens breast cancer 1, early onset Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Brugia malayi Niemann-Pick C1 protein precursor Get druggable targets OG5_128206 All targets in OG5_128206
Candida albicans potential membrane protein similar to S. cerevisiae NCR1 (YPL006W) and human NPC1 late endosomal protein involved in sterol home Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma mansoni niemann-pick C1 (NPC1) Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum ko:K07003 Niemann Pick type C1, putative Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Echinococcus granulosus expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Entamoeba histolytica Niemann-Pick C1 protein, putative Get druggable targets OG5_128206 All targets in OG5_128206
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium falciparum lysophospholipase, putative 0.1385 0.7195 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0105 0.0105
Mycobacterium ulcerans amidase 0.0231 0.1096 0.1451
Trichomonas vaginalis valacyclovir hydrolase, putative 0.1385 0.7195 1
Mycobacterium tuberculosis Possible lysophospholipase 0.1385 0.7195 1
Plasmodium vivax unspecified product 0.0082 0.0306 0.0426
Leishmania major hypothetical protein, conserved 0.0082 0.0306 0.0426
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0121 0.0513 0.0513
Trichomonas vaginalis esterase, putative 0.0035 0.0061 0.0085
Toxoplasma gondii hydrolase, alpha/beta fold family protein 0.0082 0.0306 1
Schistosoma mansoni peptidase 0.0082 0.0306 0.0306
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.1385 0.7195 1
Mycobacterium tuberculosis Probable amidase AmiB2 (aminohydrolase) 0.0231 0.1096 0.1451
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0231 0.1096 0.1096
Loa Loa (eye worm) hypothetical protein 0.0082 0.0306 0.0306
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0082 0.0306 0.0426
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0061 0.0085
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0035 0.0061 0.0061
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0126 0.0126
Plasmodium falciparum alpha/beta hydrolase, putative 0.0082 0.0306 0.0426
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.5052 0.5052
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0225 0.1064 0.1406
Onchocerca volvulus 0.0035 0.0061 0.2987
Schistosoma mansoni family S9 unassigned peptidase (S09 family) 0.0082 0.0306 0.0306
Loa Loa (eye worm) hypothetical protein 0.0035 0.0061 0.0061
Trypanosoma cruzi serine peptidase, putative 0.0082 0.0306 0.0426
Plasmodium falciparum prodrug activation and resistance esterase 0.0082 0.0306 0.0426
Plasmodium falciparum lysophospholipase, putative 0.0082 0.0306 0.0426
Loa Loa (eye worm) hypothetical protein 0.0051 0.0145 0.0145
Mycobacterium tuberculosis Possible amidase (aminohydrolase) 0.0231 0.1096 0.1451
Brugia malayi putative amidase 0.0231 0.1096 0.1096
Onchocerca volvulus 0.0035 0.0061 0.2987
Loa Loa (eye worm) hypothetical protein 0.0082 0.0306 0.0306
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0126 0.0126
Trypanosoma cruzi monoglyceride lipase, putative 0.1385 0.7195 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0126 0.0126
Trichomonas vaginalis glutaminase, putative 0.0267 0.1288 0.1791
Trypanosoma brucei monoglyceride lipase, putative 0.1385 0.7195 1
Schistosoma mansoni hypothetical protein 0.0169 0.0769 0.0769
Echinococcus multilocularis monoacylglycerol lipase abhd12 0.0082 0.0306 0.0306
Loa Loa (eye worm) hypothetical protein 0.0035 0.0061 0.0061
Toxoplasma gondii hypothetical protein 0.0082 0.0306 1
Entamoeba histolytica hypothetical protein 0.0043 0.0105 0.0145
Echinococcus granulosus intermediate filament protein 0.0028 0.0023 0.0023
Trichomonas vaginalis conserved hypothetical protein 0.1385 0.7195 1
Plasmodium vivax hypothetical protein, conserved 0.0082 0.0306 0.0426
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0105 0.0105
Trypanosoma cruzi amidase, putative 0.0231 0.1096 0.1523
Loa Loa (eye worm) hypothetical protein 0.0035 0.0061 0.0061
Plasmodium falciparum BEM46-like protein, putative 0.0082 0.0306 0.0426
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.015 0.015
Entamoeba histolytica hypothetical protein 0.0043 0.0105 0.0145
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0082 0.0306 0.0426
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0126 0.0126
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.1385 0.7195 1
Trichomonas vaginalis conserved hypothetical protein 0.0082 0.0306 0.0426
Brugia malayi CHE-14 protein 0.0051 0.0145 0.0145
Schistosoma mansoni hypothetical protein 0.0043 0.0105 0.0105
Plasmodium vivax lysophospholipase, putative 0.0082 0.0306 0.0426
Trypanosoma cruzi serine peptidase, putative 0.0082 0.0306 0.0426
Loa Loa (eye worm) hypothetical protein 0.0082 0.0306 0.0306
Mycobacterium ulcerans hypothetical protein 0.0082 0.0306 0.0344
Echinococcus granulosus abhydrolase domain containing 3 0.0082 0.0306 0.0306
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0082 0.0306 0.0426
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0023 0.0023
Entamoeba histolytica hypothetical protein 0.0043 0.0105 0.0145
Plasmodium vivax PST-A protein 0.1385 0.7195 1
Toxoplasma gondii esterase/lipase/thioesterase domain-containing protein 0.0082 0.0306 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0126 0.0126
Loa Loa (eye worm) glutaminase 2 0.0267 0.1288 0.1288
Schistosoma mansoni family S9 unassigned peptidase (S09 family) 0.0082 0.0306 0.0306
Entamoeba histolytica hypothetical protein 0.0082 0.0306 0.0426
Loa Loa (eye worm) beta-lactamase 0.0035 0.0061 0.0061
Mycobacterium ulcerans lysophospholipase 0.1385 0.7195 1
Mycobacterium ulcerans glutaminase 0.0267 0.1288 0.172
Brugia malayi Niemann-Pick C1 protein precursor 0.0119 0.0503 0.0503
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.1385 0.7195 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0231 0.1096 0.1096
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0061 0.0085
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0231 0.1096 1
Echinococcus granulosus monoacylglycerol lipase abhd12 0.0082 0.0306 0.0306
Trypanosoma brucei Alpha/beta hydrolase family, putative 0.0082 0.0306 0.0426
Leishmania major monoglyceride lipase, putative 0.1385 0.7195 1
Echinococcus multilocularis protein patched 0.0051 0.0145 0.0145
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0082 0.0306 0.0426
Trypanosoma cruzi Serine peptidase, Clan SC, Family S09X, putative 0.0082 0.0306 0.0426
Loa Loa (eye worm) hypothetical protein 0.0082 0.0306 0.0306
Echinococcus multilocularis musashi 0.0028 0.0023 0.0023
Echinococcus multilocularis lamin 0.0028 0.0023 0.0023
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.1385 0.7195 1
Mycobacterium ulcerans amidase 0.0231 0.1096 0.1451
Leishmania major Bem46-like serine peptidase,Serine peptidase, Clan SC, Family S09X 0.0082 0.0306 0.0426
Plasmodium falciparum lysophospholipase, putative 0.1385 0.7195 1
Echinococcus granulosus Phospholipase carboxylesterase 0.0082 0.0306 0.0306
Plasmodium vivax unspecified product 0.0082 0.0306 0.0426
Schistosoma mansoni hypothetical protein 0.0169 0.0769 0.0769
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0119 0.0503 0.07
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0082 0.0306 0.0426
Plasmodium falciparum exported lipase 1 0.0082 0.0306 0.0426
Trypanosoma cruzi Alpha/beta hydrolase family, putative 0.0082 0.0306 0.0426
Mycobacterium leprae PROBABLE AMIDASE AMIC (AMINOHYDROLASE) 0.0231 0.1096 0.1451
Loa Loa (eye worm) glutaminase 0.0267 0.1288 0.1288
Echinococcus granulosus Protein patched homolog 1 0.0051 0.0145 0.0145
Echinococcus multilocularis abhydrolase domain containing 3 0.0082 0.0306 0.0306
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0061 0.0085
Schistosoma mansoni lamin 0.0028 0.0023 0.0023
Schistosoma mansoni glutaminase 0.0267 0.1288 0.1288
Trichomonas vaginalis conserved hypothetical protein 0.0082 0.0306 0.0426
Schistosoma mansoni hypothetical protein 0.0049 0.0135 0.0135
Trichomonas vaginalis conserved hypothetical protein 0.0082 0.0306 0.0426
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0231 0.1096 0.1096
Echinococcus multilocularis geminin 0.0169 0.0769 0.0769
Toxoplasma gondii phospholipase/carboxylesterase 0.0082 0.0306 1
Plasmodium falciparum glutamyl-tRNA(Gln) amidotransferase subunit A 0.0231 0.1096 0.1523
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0126 0.0126
Mycobacterium tuberculosis Probable amidase AmiC (aminohydrolase) 0.0231 0.1096 0.1451
Trypanosoma brucei monoglyceride lipase, putative 0.1385 0.7195 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0126 0.0126
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0061 0.0085
Echinococcus granulosus lamin dm0 0.0028 0.0023 0.0023
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0051 0.0145 0.0145
Plasmodium vivax hypothetical protein, conserved 0.0082 0.0306 0.0426
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0061 0.0061
Brugia malayi glutaminase DH11.1 0.0267 0.1288 0.1288
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.1385 0.7195 1
Plasmodium falciparum esterase, putative 0.1385 0.7195 1
Mycobacterium ulcerans hydrolase 0.0082 0.0306 0.0344
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0126 0.0126
Plasmodium falciparum alpha/beta hydrolase, putative 0.0082 0.0306 0.0426
Mycobacterium ulcerans amidase 0.0231 0.1096 0.1451
Mycobacterium tuberculosis Probable amidase AmiD (acylamidase) (acylase) 0.0231 0.1096 0.1451
Toxoplasma gondii protein c14orf29, putative 0.0082 0.0306 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0062 0.0205 0.0205
Echinococcus multilocularis expressed conserved protein 0.0112 0.0465 0.0465
Echinococcus multilocularis tumor protein p63 0.0355 0.1754 0.1754
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0082 0.0306 0.0426
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0023 0.0023
Plasmodium vivax PST-A protein 0.0082 0.0306 0.0426
Brugia malayi MGC79044 protein 0.0082 0.0306 0.0306
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0105 0.0105
Echinococcus multilocularis protein dispatched 1 0.0058 0.0183 0.0183
Trichomonas vaginalis conserved hypothetical protein 0.0082 0.0306 0.0426
Loa Loa (eye worm) hypothetical protein 0.0052 0.015 0.015
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0231 0.1096 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.0145 0.0201
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0061 0.0061
Echinococcus granulosus Niemann Pick C1 protein 0.0119 0.0503 0.0503
Toxoplasma gondii peptidase S15, putative 0.0082 0.0306 1
Plasmodium vivax alpha/beta hydrolase, putative 0.0082 0.0306 0.0426
Mycobacterium leprae PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A) 0.0231 0.1096 0.1451
Trypanosoma brucei Serine peptidase, Clan SC, Family S09X 0.0082 0.0306 0.0426
Plasmodium falciparum alpha/beta-hydrolase, putative 0.0082 0.0306 0.0426
Plasmodium vivax PST-A protein 0.0082 0.0306 0.0426
Plasmodium vivax PST-A protein 0.0082 0.0306 0.0426
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0126 0.0126
Trypanosoma brucei fatty-acid amide hydrolase, putative 0.0231 0.1096 0.1523
Trichomonas vaginalis conserved hypothetical protein 0.0082 0.0306 0.0426
Toxoplasma gondii hydrolase, alpha/beta fold family protein 0.0082 0.0306 1
Brugia malayi beta-lactamase family protein 0.0035 0.0061 0.0061
Mycobacterium ulcerans aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0231 0.1096 0.1451
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0061 0.0085
Echinococcus granulosus tumor protein p63 0.0355 0.1754 0.1754
Echinococcus granulosus sterol regulatory element binding protein 0.0051 0.0145 0.0145
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.1385 0.7195 1
Loa Loa (eye worm) amidase 0.0231 0.1096 0.1096
Plasmodium vivax PST-A protein 0.0082 0.0306 0.0426
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0082 0.0306 0.0426
Echinococcus multilocularis Phospholipase carboxylesterase 0.0082 0.0306 0.0306
Mycobacterium tuberculosis Conserved hypothetical protein 0.0082 0.0306 0.0344
Schistosoma mansoni hypothetical protein 0.0049 0.0135 0.0135
Trichomonas vaginalis conserved hypothetical protein 0.0082 0.0306 0.0426
Trypanosoma cruzi Alpha/beta hydrolase family, putative 0.0082 0.0306 0.0426
Leishmania major hypothetical protein, conserved 0.0082 0.0306 0.0426
Entamoeba histolytica hypothetical protein 0.0082 0.0306 0.0426
Echinococcus granulosus abhydrolase domain containing protein 13 0.0082 0.0306 0.0306
Plasmodium vivax lysophospholipase, putative 0.0082 0.0306 0.0426
Trypanosoma cruzi amidase, putative 0.0231 0.1096 0.1523
Mycobacterium ulcerans amidase 0.0231 0.1096 0.1451
Brugia malayi beta-lactamase family protein 0.0035 0.0061 0.0061
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0061 0.0085
Schistosoma mansoni glutamyl-tRNA(Gln) amidotransferase subunit A 0.0231 0.1096 0.1096
Loa Loa (eye worm) hypothetical protein 0.0119 0.0503 0.0503
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0231 0.1096 0.5
Echinococcus granulosus lamin 0.0028 0.0023 0.0023
Loa Loa (eye worm) hypothetical protein 0.0028 0.002 0.002
Mycobacterium ulcerans hypothetical protein 0.1385 0.7195 1
Mycobacterium ulcerans hypothetical protein 0.0082 0.0306 0.0344
Plasmodium vivax lysophospholipase, putative 0.0082 0.0306 0.0426
Schistosoma mansoni patched 1 0.0051 0.0145 0.0145
Schistosoma mansoni hypothetical protein 0.0049 0.0135 0.0135
Leishmania major hypothetical protein, conserved 0.0231 0.1096 0.1523
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0082 0.0306 0.0426
Brugia malayi Amidase family protein 0.0231 0.1096 0.1096
Entamoeba histolytica ;Alias 0.0082 0.0306 0.0426
Toxoplasma gondii hypothetical protein 0.0082 0.0306 1
Mycobacterium ulcerans amidase 0.0231 0.1096 0.1451
Brugia malayi beta-lactamase 0.0035 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0035 0.0061 0.0061
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0061 0.0085
Giardia lamblia Cgi67 serine protease precursor-like protein 0.0082 0.0306 1
Plasmodium vivax PST-A protein 0.0082 0.0306 0.0426
Brugia malayi MGC83647 protein 0.0082 0.0306 0.0306
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0061 0.0085
Plasmodium falciparum lysophospholipase, putative 0.0082 0.0306 0.0426
Toxoplasma gondii hypothetical protein 0.0082 0.0306 1
Plasmodium falciparum esterase, putative 0.0082 0.0306 0.0426
Entamoeba histolytica hypothetical protein 0.0043 0.0105 0.0145
Schistosoma mansoni hypothetical protein 0.0049 0.0135 0.0135
Plasmodium falciparum alpha/beta hydrolase, putative 0.0082 0.0306 0.0426
Echinococcus multilocularis lamin dm0 0.0028 0.0023 0.0023
Schistosoma mansoni fatty-acid amide hydrolase 0.0231 0.1096 0.1096
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0082 0.0306 0.0426
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0023 0.0023
Schistosoma mansoni lamin 0.0028 0.0023 0.0023
Brugia malayi Amidase family protein 0.0231 0.1096 0.1096
Trypanosoma cruzi hydrolase, alpha/beta fold family, putative 0.0082 0.0306 0.0426
Echinococcus granulosus Niemann Pick C1 protein 0.017 0.0773 0.0773
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0028 0.0023 0.0023
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.1385 0.7195 1
Plasmodium falciparum epoxide hydrolase 2 0.0082 0.0306 0.0426
Plasmodium falciparum lysophospholipase, putative 0.1385 0.7195 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.0306 0.0306
Mycobacterium tuberculosis Probable amidase AmiA2 (aminohydrolase) 0.0231 0.1096 0.1451
Onchocerca volvulus 0.0035 0.0061 0.2987
Leishmania major hypothetical protein, conserved 0.0035 0.0061 0.0085
Echinococcus multilocularis Niemann Pick C1 protein 0.017 0.0773 0.0773
Loa Loa (eye worm) amidase 0.0231 0.1096 0.1096
Plasmodium vivax glutamyl-tRNA(Gln) amidotransferase subunit A, putative 0.0231 0.1096 0.1523
Trypanosoma brucei Alpha/beta hydrolase family, putative 0.0082 0.0306 0.0426
Plasmodium falciparum alpha/beta hydrolase, putative 0.0082 0.0306 0.0426
Toxoplasma gondii phospholipase 0.0082 0.0306 1
Plasmodium falciparum alpha/beta hydrolase fold domain containing protein, putative 0.0082 0.0306 0.0426
Echinococcus multilocularis sterol regulatory element binding protein 0.0051 0.0145 0.0145
Plasmodium falciparum alpha/beta hydrolase, putative 0.0082 0.0306 0.0426
Trichomonas vaginalis conserved hypothetical protein 0.0082 0.0306 0.0426
Echinococcus multilocularis Niemann Pick C1 protein 0.0119 0.0503 0.0503
Schistosoma mansoni intermediate filament proteins 0.0028 0.0023 0.0023
Echinococcus granulosus expressed conserved protein 0.0112 0.0465 0.0465
Echinococcus granulosus geminin 0.0169 0.0769 0.0769
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.1385 0.7195 1
Mycobacterium ulcerans peptide amidase, GatA 0.0231 0.1096 0.1451
Brugia malayi intermediate filament protein 0.0028 0.0023 0.0023
Plasmodium falciparum exported lipase 2 0.0082 0.0306 0.0426
Brugia malayi hypothetical protein 0.0043 0.0105 0.0105
Echinococcus granulosus fatty acid amide hydrolase 1 0.0231 0.1096 0.1096
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0061 0.0085
Trichomonas vaginalis conserved hypothetical protein 0.0082 0.0306 0.0426
Trypanosoma cruzi Alpha/beta hydrolase family, putative 0.0082 0.0306 0.0426
Plasmodium falciparum esterase, putative 0.0082 0.0306 0.0426
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0061 0.0061
Toxoplasma gondii ABC1 family protein 0.0035 0.0061 0.1991
Loa Loa (eye worm) hypothetical protein 0.0035 0.0061 0.0061
Onchocerca volvulus 0.0052 0.015 1
Trichomonas vaginalis conserved hypothetical protein 0.1385 0.7195 1
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0082 0.0306 0.0426
Trichomonas vaginalis conserved hypothetical protein 0.0082 0.0306 0.0426
Plasmodium vivax alpha/beta hydrolase, putative 0.0082 0.0306 0.0426
Brugia malayi Protein C20orf22 0.0082 0.0306 0.0306
Toxoplasma gondii hypothetical protein 0.0082 0.0306 1
Plasmodium vivax hypothetical protein, conserved 0.0082 0.0306 0.0426

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.9362 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) 3.2643 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.2213 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 10.3183 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.575 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 23.9341 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 125.8925 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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