Detailed information for compound 1213127

Basic information

Technical information
  • TDR Targets ID: 1213127
  • Name: N-[2-(1-cyclohexenyl)ethyl]-1-(2,5-dimethoxyp henyl)sulfonylpiperidine-4-carboxamide
  • MW: 436.565 | Formula: C22H32N2O5S
  • H donors: 1 H acceptors: 3 LogP: 2.83 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1S(=O)(=O)N1CCC(CC1)C(=O)NCCC1=CCCCC1)OC
  • InChi: 1S/C22H32N2O5S/c1-28-19-8-9-20(29-2)21(16-19)30(26,27)24-14-11-18(12-15-24)22(25)23-13-10-17-6-4-3-5-7-17/h6,8-9,16,18H,3-5,7,10-15H2,1-2H3,(H,23,25)
  • InChiKey: GSRCQNQDGLWHBR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(1-cyclohexenyl)ethyl]-1-(2,5-dimethoxyphenyl)sulfonyl-piperidine-4-carboxamide
  • N-[2-(1-cyclohexenyl)ethyl]-1-(2,5-dimethoxyphenyl)sulfonyl-4-piperidinecarboxamide
  • N-[2-(1-cyclohexenyl)ethyl]-1-(2,5-dimethoxyphenyl)sulfonyl-isonipecotamide
  • MLS000097162
  • N-[2-(1-cyclohexen-1-yl)ethyl]-1-[(2,5-dimethoxyphenyl)sulfonyl]-4-piperidinecarboxamide
  • SMR000076717
  • BAS 08181271
  • ZINC00811776

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing 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 gambiense ubiquitin carboxyl-terminal 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 infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, 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
Schistosoma japonicum expressed protein 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
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family 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
Echinococcus granulosus ubiquitin specific protease 41 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
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold 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
Cryptosporidium hominis ubiquitin specific protease 66 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
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 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
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans ubiquitin-specific protease 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 IPR015063,Domain of unknown function DUF1873,domain-containing 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
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative 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
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 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
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 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
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative 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
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0164 0.0229
Loa Loa (eye worm) hypothetical protein 0.0053 0.0321 0.0648
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0041 0.0129 0.0247
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 0.0184 0.1155
Trypanosoma brucei DNA polymerase kappa, putative 0.0138 0.1756 0.1738
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0108 0.1246 0.1227
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0089 0.0921 0.0902
Echinococcus granulosus geminin 0.0165 0.2197 0.4895
Mycobacterium ulcerans hypothetical protein 0.0332 0.5 1
Schistosoma mansoni hypothetical protein 0.0302 0.4488 1
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0064 0.0512 0.3628
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0298 0.4435 0.4424
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0053 0.0321 0.0716
Mycobacterium tuberculosis Conserved protein 0.0043 0.0164 0.0229
Leishmania major hypothetical protein, conserved 0.0043 0.0164 0.0143
Mycobacterium ulcerans DNA polymerase IV 0.0138 0.1756 0.3484
Echinococcus multilocularis polycomb protein SCMH1 0.0046 0.0214 0.0476
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0037 0.0051 0.003
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.063 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0181 0.0404
Trypanosoma brucei unspecified product 0.0078 0.0737 0.0717
Loa Loa (eye worm) hypothetical protein 0.0063 0.0493 0.0994
Treponema pallidum exodeoxyribonuclease (exoA) 0.0037 0.0051 0.5
Brugia malayi calpain family protein 1 0.0063 0.0493 0.0994
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.063 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0138 0.1756 0.1738
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0164 0.0229
Trypanosoma brucei DNA polymerase kappa, putative 0.0084 0.0844 0.0825
Loa Loa (eye worm) MBCTL1 0.0053 0.0321 0.0648
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0037 0.0051 0.0114
Brugia malayi mbt repeat family protein 0.0046 0.0214 0.0431
Brugia malayi ImpB/MucB/SamB family protein 0.0113 0.1322 0.2667
Loa Loa (eye worm) hypothetical protein 0.0046 0.0214 0.0431
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.409 0.8161
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0181 0.0365
Trypanosoma brucei mitochondrial DNA polymerase beta 0.063 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0138 0.1756 0.1738
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0089 0.0921 0.0902
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0164 0.0229
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0064 0.0512 0.1141
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0035 0.0021 0.0041
Echinococcus granulosus calpain A 0.0066 0.0547 0.1218
Brugia malayi beta-lactamase family protein 0.0043 0.0164 0.0331
Schistosoma mansoni ap endonuclease 0.0037 0.0051 0.0114
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0184 0.0163
Schistosoma mansoni sex comb on midleg homolog 0.0046 0.0214 0.0476
Schistosoma mansoni hypothetical protein 0.029 0.4289 0.9556
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0164 0.0293
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0066 0.0547 0.1218
Mycobacterium ulcerans lipase LipD 0.0043 0.0164 0.0287
Loa Loa (eye worm) mbt repeat family protein 0.0046 0.0214 0.0431
Loa Loa (eye worm) hypothetical protein 0.0043 0.0164 0.0331
Loa Loa (eye worm) hypothetical protein 0.0043 0.0164 0.0331
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0164 0.0143
Trichomonas vaginalis esterase, putative 0.0043 0.0164 0.0293
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0037 0.0051 0.0211
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0184 0.0344
Loa Loa (eye worm) hypothetical protein 0.0043 0.0164 0.0331
Loa Loa (eye worm) hypothetical protein 0.0044 0.0178 0.0359
Trypanosoma brucei DNA polymerase kappa, putative 0.0138 0.1756 0.1738
Leishmania major DNA polymerase eta, putative 0.0243 0.3501 0.3487
Trypanosoma brucei DNA polymerase eta, putative 0.0243 0.3501 0.3487
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0184 0.0163
Echinococcus multilocularis geminin 0.0165 0.2197 0.4895
Toxoplasma gondii ABC1 family protein 0.0043 0.0164 0.0315
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0164 0.0366
Loa Loa (eye worm) hypothetical protein 0.033 0.4958 1
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0064 0.0512 0.0492
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0164 0.0229
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0164 0.0143
Echinococcus granulosus histone acetyltransferase MYST2 0.0053 0.0321 0.0716
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0184 0.041
Trypanosoma brucei DNA polymerase kappa, putative 0.0138 0.1756 0.1738
Echinococcus granulosus muscleblind protein 0.0146 0.1886 0.4203
Brugia malayi RNA, U transporter 1 0.008 0.0782 0.1577
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0512 0.0492
Trypanosoma brucei DNA polymerase kappa, putative 0.0138 0.1756 0.1738
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0235 0.337 0.6798
Echinococcus granulosus snurportin 1 0.0302 0.4488 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0164 0.0331
Trypanosoma cruzi DNA polymerase kappa, putative 0.0138 0.1756 0.1738
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0164 0.0315
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0164 0.0293
Mycobacterium ulcerans hypothetical protein 0.0043 0.0164 0.0287
Mycobacterium tuberculosis Conserved hypothetical protein 0.0332 0.5 1
Brugia malayi exodeoxyribonuclease III family protein 0.0037 0.0051 0.0103
Onchocerca volvulus 0.0043 0.0164 0.0331
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.0184 0.0371
Brugia malayi mbt repeat family protein 0.0046 0.0214 0.0431
Leishmania major DNA polymerase kappa, putative 0.0119 0.143 0.1412
Trypanosoma brucei DNA polymerase kappa, putative 0.0138 0.1756 0.1738
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0298 0.4435 0.4424
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0164 0.0331
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0184 0.041
Schistosoma mansoni terminal deoxycytidyl transferase 0.0113 0.1322 0.2946
Loa Loa (eye worm) calpain family protein 1 0.0063 0.0493 0.0994
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0064 0.0512 0.1033
Trypanosoma brucei DNA polymerase kappa, putative 0.0119 0.143 0.1412
Echinococcus granulosus polycomb protein SCMH1 0.0046 0.0214 0.0476
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0181 0.0365
Mycobacterium tuberculosis Conserved hypothetical protein 0.0113 0.1322 0.2569
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.019 0.2625 0.5849
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0037 0.0051 0.003
Trypanosoma brucei DNA polymerase IV, putative 0.0138 0.1756 0.1738
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0164 0.0366
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.0184 0.1046
Schistosoma mansoni DNA polymerase IV / kappa 0.0035 0.0021 0.0047
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0037 0.0051 0.006
Mycobacterium tuberculosis Conserved protein 0.0043 0.0164 0.0229
Brugia malayi beta-lactamase 0.0043 0.0164 0.0331
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0184 0.041
Trypanosoma brucei unspecified product 0.0078 0.0737 0.0717
Loa Loa (eye worm) hypothetical protein 0.0243 0.3501 0.7062
Mycobacterium ulcerans beta-lactamase 0.0043 0.0164 0.0287
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0063 0.0493 0.1098
Echinococcus multilocularis transcription factor Dp 1 0.0037 0.0059 0.0131
Loa Loa (eye worm) calpain family protein 1 0.0044 0.0178 0.0359
Toxoplasma gondii aminopeptidase N protein 0.0345 0.521 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0181 0.0404
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0037 0.0051 0.003
Loa Loa (eye worm) hypothetical protein 0.0146 0.1886 0.3805
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0164 0.0287
Trypanosoma brucei DNA polymerase kappa, putative 0.0061 0.0455 0.0435
Brugia malayi calpain family protein 1 0.0063 0.0493 0.0994
Brugia malayi hypothetical protein 0.033 0.4958 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0037 0.0051 0.0098
Trichomonas vaginalis DNA polymerase eta, putative 0.0138 0.1756 0.4414
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0113 0.1322 0.2667
Schistosoma mansoni ap endonuclease 0.0037 0.0051 0.0114
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0064 0.0512 0.1141
Echinococcus multilocularis SAM and MBT domain containing protein 0.0046 0.0214 0.0476
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0064 0.0512 0.1141
Leishmania major DNA polymerase eta, putative 0.0165 0.22 0.2183
Trypanosoma brucei DNA polymerase kappa, putative 0.0084 0.0844 0.0825
Schistosoma mansoni sex comb on midleg homolog 0.0046 0.0214 0.0476
Loa Loa (eye worm) beta-lactamase 0.0043 0.0164 0.0331
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0164 0.0293
Trypanosoma brucei DNA polymerase kappa, putative 0.0084 0.0844 0.0825
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0164 0.0293
Echinococcus granulosus transcription factor Dp 1 0.0037 0.0059 0.0131
Schistosoma mansoni hypothetical protein 0.0165 0.2197 0.4895
Loa Loa (eye worm) hypothetical protein 0.0061 0.0455 0.0918
Loa Loa (eye worm) hypothetical protein 0.0044 0.0178 0.0359
Echinococcus multilocularis muscleblind protein 1 0.0146 0.1886 0.4203
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0164 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0164 0.0331
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0046 0.0214 0.0431
Loa Loa (eye worm) hypothetical protein 0.0043 0.0164 0.0331
Toxoplasma gondii aminopeptidase n, putative 0.0345 0.521 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0164 0.0366
Toxoplasma gondii hypothetical protein 0.0102 0.114 0.2187
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.0184 0.041
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0037 0.0051 0.0114
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0037 0.0051 0.5
Echinococcus multilocularis dna polymerase kappa 0.0138 0.1756 0.3913
Echinococcus multilocularis histone acetyltransferase MYST2 0.0053 0.0321 0.0716
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0089 0.0921 0.0902
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0345 0.521 1
Schistosoma mansoni hypothetical protein 0.0165 0.2197 0.4895
Trypanosoma brucei DNA polymerase IV, putative 0.0132 0.1648 0.1631
Brugia malayi polk-prov protein 0.0061 0.0455 0.0918
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0181 0.0404
Loa Loa (eye worm) hypothetical protein 0.0043 0.0164 0.0331
Trypanosoma cruzi DNA polymerase eta, putative 0.0243 0.3501 0.3487
Echinococcus granulosus dna polymerase eta 0.0243 0.3501 0.7801
Trypanosoma cruzi DNA polymerase kappa, putative 0.0138 0.1756 0.1738
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0064 0.0512 0.1033
Brugia malayi ImpB/MucB/SamB family protein 0.0243 0.3501 0.7062
Trypanosoma brucei DNA polymerase IV, putative 0.0138 0.1756 0.1738
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0181 0.0404
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0113 0.1322 0.2946
Plasmodium vivax DNA repair protein REV1, putative 0.0035 0.0021 0.0041
Entamoeba histolytica deoxycytidyl transferase, putative 0.0113 0.1322 1
Echinococcus granulosus SAM and MBT domain containing protein 0.0046 0.0214 0.0476
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0181 0.0404
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0037 0.0051 0.003
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0298 0.4435 0.4424
Echinococcus multilocularis calpain A 0.0066 0.0547 0.1218
Brugia malayi Pre-SET motif family protein 0.0235 0.337 0.6798
Echinococcus multilocularis calpain family protein 1, d 0.0044 0.0178 0.0397
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.0184 0.0163
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0302 0.4488 0.9053
Loa Loa (eye worm) hypothetical protein 0.0063 0.0493 0.0994
Onchocerca volvulus 0.0043 0.0164 0.0331
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0164 0.0287
Trypanosoma cruzi DNA polymerase kappa, putative 0.0138 0.1756 0.1738
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0138 0.1756 0.4414
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.0184 0.041
Echinococcus granulosus endonuclease exonuclease phosphatase 0.019 0.2625 0.5849
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0164 0.0229
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0184 0.0163
Onchocerca volvulus 0.033 0.4958 1
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0053 0.0321 0.0716
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0066 0.0547 0.1218
Onchocerca volvulus 0.0044 0.0178 0.0359
Brugia malayi Muscleblind-like protein 0.0146 0.1886 0.3805
Toxoplasma gondii exonuclease III APE 0.0037 0.0051 0.0098
Mycobacterium tuberculosis Conserved protein 0.0043 0.0164 0.0229
Echinococcus granulosus dna polymerase kappa 0.0138 0.1756 0.3913
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0184 0.0344
Loa Loa (eye worm) hypothetical protein 0.0146 0.1886 0.3805
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0184 0.041
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0037 0.0051 0.0103
Onchocerca volvulus 0.0043 0.0164 0.0331
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.0184 0.041
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0164 0.0143
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0345 0.521 1
Brugia malayi beta-lactamase family protein 0.0043 0.0164 0.0331
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0119 0.143 0.1412
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0119 0.143 0.2786
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.0184 0.041
Toxoplasma gondii aminopeptidase N, putative 0.0345 0.521 1
Onchocerca volvulus 0.0267 0.3913 0.7894
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0053 0.0321 0.0648
Giardia lamblia DINP protein human, muc B family 0.0119 0.143 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0181 0.0404
Schistosoma mansoni DNA polymerase eta 0.0243 0.3501 0.7801
Trypanosoma brucei unspecified product 0.0132 0.1648 0.1631
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0164 0.0229
Trypanosoma cruzi DNA polymerase eta, putative 0.0165 0.22 0.2183
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0046 0.0214 0.0476
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0164 0.0229
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0164 0.0293
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0184 0.0344
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0512 0.0492
Mycobacterium ulcerans DNA polymerase IV 0.0138 0.1756 0.3484
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0037 0.0051 0.0057
Echinococcus multilocularis snurportin 1 0.0302 0.4488 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0053 0.0321 0.0716
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0512 0.0492
Echinococcus multilocularis dna polymerase eta 0.0243 0.3501 0.7801
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0113 0.1322 0.2946
Trypanosoma brucei DNA polymerase kappa, putative 0.0138 0.1756 0.1738
Loa Loa (eye worm) hypothetical protein 0.0045 0.0184 0.0371
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0089 0.0921 0.0902
Onchocerca volvulus 0.0046 0.0214 0.0431
Echinococcus multilocularis muscleblind protein 0.0146 0.1886 0.4203
Trypanosoma brucei DNA polymerase kappa, putative 0.0061 0.0455 0.0435
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0113 0.1322 0.2946
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0164 0.0366
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0165 0.22 0.4223
Trypanosoma brucei DNA polymerase kappa, putative 0.0138 0.1756 0.1738
Trypanosoma cruzi DNA polymerase kappa, putative 0.0138 0.1756 0.1738
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0181 0.0404
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0066 0.0547 0.1218
Trichomonas vaginalis set domain proteins, putative 0.0267 0.3913 1
Mycobacterium leprae Probable lipase LipE 0.0043 0.0164 0.5
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0066 0.0547 0.1218

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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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