Detailed information for compound 1288582

Basic information

Technical information
  • TDR Targets ID: 1288582
  • Name: N-[2-(1-cyclohexenyl)ethyl]-1-(3H-imidazol-4- ylsulfonyl)piperidine-3-carboxamide
  • MW: 366.478 | Formula: C17H26N4O3S
  • H donors: 2 H acceptors: 4 LogP: 1.36 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCCN(C1)S(=O)(=O)c1c[nH]cn1)NCCC1=CCCCC1
  • InChi: 1S/C17H26N4O3S/c22-17(19-9-8-14-5-2-1-3-6-14)15-7-4-10-21(12-15)25(23,24)16-11-18-13-20-16/h5,11,13,15H,1-4,6-10,12H2,(H,18,20)(H,19,22)
  • InChiKey: HBCBTOSJSPOPSC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(1-cyclohexenyl)ethyl]-1-(3H-imidazol-4-ylsulfonyl)-3-piperidinecarboxamide
  • N-[2-(1-cyclohexenyl)ethyl]-1-(3H-imidazol-4-ylsulfonyl)nipecotamide
  • SMR000094800
  • MLS000117852

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei gambiense ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi TAR-binding protein 0.0064 0.0489 0.1007
Loa Loa (eye worm) hypothetical protein 0.0201 0.2229 0.4855
Mycobacterium ulcerans hypothetical protein 0.0157 0.1665 0.3564
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.088 0.1356
Mycobacterium tuberculosis Conserved hypothetical protein 0.0079 0.0684 0.2619
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.006 0.0041
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0208 0.0385
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0042 0.0208 0.0385
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.1878 0.4078
Trypanosoma brucei trypanothione reductase 0.0051 0.0328 0.065
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.088 0.0849
Echinococcus granulosus peptidase Clp S14 family 0.0158 0.1687 0.2648
Brugia malayi Probable ClpP-like protease 0.0242 0.2743 0.5993
Schistosoma mansoni hypothetical protein 0.052 0.6275 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0139 0.0167
Brugia malayi RNA, U transporter 1 0.0081 0.0702 0.1477
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.1878 0.4078
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0244 0.021
Entamoeba histolytica hypothetical protein 0.0036 0.0139 0.0231
Echinococcus granulosus thioredoxin glutathione reductase 0.0051 0.0328 0.0471
Onchocerca volvulus 0.0094 0.0872 0.3059
Mycobacterium ulcerans glutaminase 0.0296 0.3437 1
Loa Loa (eye worm) hypothetical protein 0.0137 0.1422 0.3069
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.1878 0.4078
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.088 0.1356
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.088 0.1403
Trichomonas vaginalis set domain proteins, putative 0.0239 0.2713 0.5926
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0242 0.2743 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0117 0.1161 0.613
Loa Loa (eye worm) hypothetical protein 0.0308 0.3585 0.7855
Echinococcus multilocularis GPCR, family 2 0.0064 0.0485 0.0452
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0385 0.4554 0.7259
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0042 0.0208 0.0385
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0264 0.3031 0.6629
Echinococcus granulosus CAAX prenyl protease 2 0.0385 0.4554 0.7244
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0489 0.078
Loa Loa (eye worm) glutaminase 2 0.0296 0.3437 0.7529
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0244 0.0464
Plasmodium vivax SET domain protein, putative 0.003 0.006 0.0095
Brugia malayi latrophilin 2 splice variant baaae 0.0137 0.1422 0.3069
Schistosoma mansoni hypothetical protein 0.052 0.6275 1
Trichomonas vaginalis glucosylceramidase, putative 0.0264 0.3031 0.6629
Loa Loa (eye worm) latrophilin receptor protein 2 0.0064 0.0485 0.0997
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0244 0.0464
Entamoeba histolytica hypothetical protein 0.0036 0.0139 0.0231
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0101 0.0955 0.1522
Brugia malayi MH2 domain containing protein 0.0248 0.2825 0.6175
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0244 0.0464
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0489 0.078
Echinococcus granulosus snurportin 1 0.0303 0.3524 0.5592
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0064 0.0485 0.0997
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0385 0.4554 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0101 0.0955 0.1522
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0489 0.078
Echinococcus multilocularis muscleblind protein 1 0.0308 0.3585 0.3563
Echinococcus multilocularis tar DNA binding protein 0.0064 0.0489 0.0457
Loa Loa (eye worm) hypothetical protein 0.0028 0.0038 0.0008
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0298 0.3451 0.756
Plasmodium vivax glutathione reductase, putative 0.0051 0.0328 0.1084
Trichomonas vaginalis glucosylceramidase, putative 0.0183 0.1996 0.434
Leishmania major trypanothione reductase 0.0051 0.0328 0.065
Trichomonas vaginalis glucosylceramidase, putative 0.0264 0.3031 0.6629
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.1878 0.4078
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0064 0.0485 0.0452
Loa Loa (eye worm) hypothetical protein 0.0101 0.0955 0.2037
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.0244 0.0389
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0264 0.3031 0.6629
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.0244 0.0464
Echinococcus granulosus GPCR family 2 0.0064 0.0485 0.0722
Mycobacterium tuberculosis Conserved hypothetical protein 0.0157 0.1665 0.9841
Loa Loa (eye worm) thioredoxin reductase 0.0051 0.0328 0.065
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 0.0244 0.0464
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0158 0.1687 1
Plasmodium vivax thioredoxin reductase, putative 0.0051 0.0328 0.1084
Plasmodium vivax protease, putative 0.0079 0.0684 0.2398
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0385 0.4554 0.7259
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0385 0.4554 1
Schistosoma mansoni hypothetical protein 0.0137 0.1422 0.2265
Echinococcus granulosus geminin 0.052 0.6275 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0064 0.0485 0.0452
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.1878 0.4078
Trypanosoma brucei CAAX amino terminal protease, putative 0.0385 0.4554 1
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.0079 0.0684 0.2619
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.006 0.0026
Brugia malayi Pre-SET motif family protein 0.003 0.006 0.0057
Toxoplasma gondii hypothetical protein 0.0079 0.0684 0.2398
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.0079 0.0684 0.2619
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0244 0.0464
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0489 0.078
Plasmodium falciparum thioredoxin reductase 0.0051 0.0328 0.1084
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0117 0.1161 0.613
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0244 0.021
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.0244 0.0336
Loa Loa (eye worm) glutaminase 0.0296 0.3437 0.7529
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.013 0.1327 0.7348
Echinococcus multilocularis snurportin 1 0.0303 0.3524 0.3502
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.006 0.0096
Mycobacterium tuberculosis Probable dehydrogenase 0.0117 0.1161 0.613
Loa Loa (eye worm) RNA binding protein 0.0064 0.0489 0.1007
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0244 0.0336
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0095 0.088 0.1872
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.1878 0.4078
Plasmodium falciparum protease, putative 0.0079 0.0684 0.2398
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0303 0.3524 0.772
Toxoplasma gondii hypothetical protein 0.0083 0.0734 0.2582
Brugia malayi glutathione reductase 0.0051 0.0328 0.065
Toxoplasma gondii thioredoxin reductase 0.0051 0.0328 0.1084
Onchocerca volvulus 0.0101 0.0955 0.3373
Brugia malayi Muscleblind-like protein 0.0308 0.3585 0.7855
Loa Loa (eye worm) hypothetical protein 0.0064 0.0485 0.0997
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0139 0.0221
Plasmodium falciparum importin beta, putative 0.0028 0.0038 0.0013
Brugia malayi Latrophilin receptor protein 2 0.0064 0.0485 0.0997
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0244 0.0464
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0201 0.2229 0.4855
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0208 0.0385
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0038 0.0008
Schistosoma mansoni hypothetical protein 0.0064 0.0485 0.0773
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0242 0.2743 1
Loa Loa (eye worm) hypothetical protein 0.003 0.006 0.0057
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0201 0.2229 0.4855
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0064 0.0485 0.0722
Entamoeba histolytica CAAX prenyl protease family 0.0385 0.4554 1
Loa Loa (eye worm) hypothetical protein 0.0308 0.3585 0.7855
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.0244 0.021
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.0244 0.0464
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0244 0.0464
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0064 0.0485 0.0722
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0298 0.3451 0.756
Brugia malayi Thioredoxin reductase 0.0051 0.0328 0.065
Brugia malayi Trypsin family protein 0.0101 0.0955 0.2037
Loa Loa (eye worm) glutathione reductase 0.0051 0.0328 0.065
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0095 0.088 0.1872
Toxoplasma gondii hypothetical protein 0.0079 0.0684 0.2398
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.0244 0.0464
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0242 0.2743 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0046 0.0019
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0038 0.0013
Entamoeba histolytica hypothetical protein 0.0036 0.0139 0.0231
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0242 0.2743 0.7479
Schistosoma mansoni glutaminase 0.0296 0.3437 0.5478
Echinococcus multilocularis peptidase Clp (S14 family) 0.0158 0.1687 0.1658
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0117 0.1161 0.2127
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0242 0.2743 0.2718
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.0489 0.1007
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0117 0.1161 0.613
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0242 0.2743 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.088 0.1403
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.088 0.0849
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0489 0.1007
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0298 0.3451 0.756
Mycobacterium tuberculosis Probable integral membrane protein 0.0079 0.0684 0.2619
Onchocerca volvulus Glucosylceramidase homolog 0.0173 0.1878 0.6851
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0038 0.0008
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0083 0.0734 0.2582
Loa Loa (eye worm) hypothetical protein 0.0242 0.2743 0.5993
Entamoeba histolytica CAAX amino terminal protease family 0.0079 0.0684 0.1437
Echinococcus multilocularis thioredoxin glutathione reductase 0.0051 0.0328 0.0295
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.006 0.0026
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0141 0.1464 0.3162
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.006 0.0096
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.006 0.0095
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.013 0.1327 0.295
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0242 0.2743 0.4341
Schistosoma mansoni hypothetical protein 0.0064 0.0485 0.0773
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.006 0.0096
Onchocerca volvulus 0.0239 0.2713 1
Schistosoma mansoni hypothetical protein 0.0064 0.0485 0.0773
Mycobacterium tuberculosis Probable oxidoreductase 0.013 0.1327 0.7348
Echinococcus multilocularis muscleblind protein 0.0308 0.3585 0.3563
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0158 0.1687 1
Loa Loa (eye worm) transcription factor SMAD2 0.0248 0.2825 0.6175
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.0244 0.0389
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.013 0.1327 0.7348
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0244 0.0336
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.1878 0.4078
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0489 0.078
Loa Loa (eye worm) hypothetical protein 0.0101 0.0955 0.2037
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0385 0.4554 1
Giardia lamblia Hypothetical protein 0.0385 0.4554 1
Entamoeba histolytica hypothetical protein 0.0036 0.0139 0.0231
Brugia malayi RNA binding protein 0.0064 0.0489 0.1007
Loa Loa (eye worm) MH2 domain-containing protein 0.0248 0.2825 0.6175
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0139 0.0105
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0141 0.1464 0.3162
Echinococcus multilocularis CAAX prenyl protease 2 0.0385 0.4554 0.4536
Echinococcus granulosus tar DNA binding protein 0.0064 0.0489 0.0729
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0324 0.0641
Trypanosoma cruzi trypanothione reductase, putative 0.0051 0.0328 0.065
Schistosoma mansoni hypothetical protein 0.0036 0.0139 0.0221
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0242 0.2743 1
Schistosoma mansoni hypothetical protein 0.0064 0.0485 0.0773
Brugia malayi glutaminase DH11.1 0.0296 0.3437 0.7529
Trichomonas vaginalis glucosylceramidase, putative 0.0264 0.3031 0.6629
Trichomonas vaginalis glucosylceramidase, putative 0.0264 0.3031 0.6629
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0242 0.2743 1
Toxoplasma gondii hypothetical protein 0.0048 0.0286 0.093
Trichomonas vaginalis glutaminase, putative 0.0296 0.3437 0.7529
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0385 0.4554 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0242 0.2743 0.5
Schistosoma mansoni peptidase Clp (S14 family) 0.0242 0.2743 0.4372
Schistosoma mansoni importin beta-1 0.0028 0.0038 0.006
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0242 0.2743 0.7479
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0158 0.1687 0.4744
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0117 0.1161 0.613
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0489 0.1007
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.021 0.2344 0.5111
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0038 0.0004
Echinococcus multilocularis geminin 0.052 0.6275 0.6262
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.088 0.1403
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0141 0.1464 0.3162
Brugia malayi hypothetical protein 0.0036 0.0139 0.0231
Loa Loa (eye worm) hypothetical protein 0.0045 0.0244 0.0464
Trichomonas vaginalis glucosylceramidase, putative 0.0264 0.3031 0.6629
Leishmania major mitochondrial DNA polymerase beta 0.0298 0.3451 0.756
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.006 0.0096
Trichomonas vaginalis glucosylceramidase, putative 0.0264 0.3031 0.6629
Toxoplasma gondii CAAX amino terminal protease family protein 0.0079 0.0684 0.2398
Schistosoma mansoni hypothetical protein 0.0303 0.3524 0.5616
Brugia malayi Pre-SET motif family protein 0.021 0.2344 0.5111
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0083 0.0734 0.0242
Mycobacterium tuberculosis Probable reductase 0.0117 0.1161 0.613
Echinococcus granulosus importin subunit beta 1 0.0028 0.0038 0.0006
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0242 0.2743 1
Trichomonas vaginalis glucosylceramidase, putative 0.0183 0.1996 0.434
Brugia malayi Importin beta-1 subunit 0.0028 0.0038 0.0008
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0083 0.0734 0.2582
Brugia malayi Calcitonin receptor-like protein seb-1 0.0201 0.2229 0.4855
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0242 0.2743 1
Entamoeba histolytica CAAX amino terminal protease family 0.0079 0.0684 0.1437
Plasmodium falciparum glutathione reductase 0.0051 0.0328 0.1084
Loa Loa (eye worm) hypothetical protein 0.0385 0.4554 1
Echinococcus granulosus muscleblind protein 0.0308 0.3585 0.569
Brugia malayi CAAX amino terminal protease family protein 0.0385 0.4554 1
Plasmodium vivax importin-beta 2, putative 0.0028 0.0038 0.0013

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.2387 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
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a Using CHOP2 as the Reporter. (Class of assay: confirmatory) [Related pubchem assays: 2281 (Summary of qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a), 463106 (LOPAC Validation Assay for Inhibitors of Ubiquitin-specific Protease USP2a)] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (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, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 100 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

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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