Detailed information for compound 1426087

Basic information

Technical information
  • TDR Targets ID: 1426087
  • Name: N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1 -(4-methoxyphenyl)sulfonylpiperidine-4-carbox amide
  • MW: 470.584 | Formula: C24H30N4O4S
  • H donors: 2 H acceptors: 4 LogP: 3.27 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NC(c1nc2c([nH]1)cccc2)C(C)C
  • InChi: 1S/C24H30N4O4S/c1-16(2)22(23-25-20-6-4-5-7-21(20)26-23)27-24(29)17-12-14-28(15-13-17)33(30,31)19-10-8-18(32-3)9-11-19/h4-11,16-17,22H,12-15H2,1-3H3,(H,25,26)(H,27,29)
  • InChiKey: MSNZOCOWBNVDLX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[1-(1H-benzimidazol-2-yl)-2-methyl-propyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide
  • N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxamide
  • N-[1-(1H-benzimidazol-2-yl)-2-methyl-propyl]-1-(4-methoxyphenyl)sulfonyl-isonipecotamide
  • T5512127

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium hominis ubiquitin specific protease 66 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
Leishmania donovani 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
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 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
Trypanosoma brucei 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
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 IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum hypothetical protein 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
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative 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
Schistosoma japonicum expressed protein 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
Trichomonas vaginalis conserved hypothetical protein 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
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, 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
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 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
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing 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 multilocularis ubiquitin carboxyl terminal hydrolase 8 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
Schistosoma mansoni ubiquitin-specific peptidase 8 (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
Echinococcus granulosus ubiquitin specific protease 41 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
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 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
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
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 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Sugar transporter family protein 0.0448 0.2253 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.0201 0.0894
Loa Loa (eye worm) hypothetical protein 0.0063 0.0201 0.0894
Schistosoma mansoni sugar transporter 0.0063 0.0201 0.0894
Plasmodium vivax calcium-dependent protein kinase, putative 0.0137 0.0597 0.0597
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0088 0.0333 0.1477
Trypanosoma cruzi hexose transporter, putative 0.0139 0.0606 0.8651
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0134 0.0582 0.9752
Trichomonas vaginalis sugar transporter, putative 0.0063 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0063 0.0201 0.0894
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0137 0.0597 0.8517
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0448 0.2253 1
Schistosoma mansoni serine/threonine protein kinase 0.0137 0.0597 0.2648
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0097 0.0432
Loa Loa (eye worm) hypothetical protein 0.0043 0.0097 0.0432
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0137 0.0597 0.2648
Brugia malayi major facilitator superfamily protein 0.0063 0.0201 0.0894
Trichomonas vaginalis conserved hypothetical protein 0.0063 0.0201 0.0894
Toxoplasma gondii transporter, major facilitator family protein 0.0063 0.0201 0.0305
Schistosoma mansoni sugar transporter 0.0063 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0063 0.0201 0.0894
Echinococcus multilocularis lysyl tRNA synthetase 0.01 0.0399 0.1769
Trichomonas vaginalis conserved hypothetical protein 0.0063 0.0201 0.0894
Schistosoma mansoni glucose transport protein 0.0448 0.2253 1
Loa Loa (eye worm) sugar transporter 0.0448 0.2253 1
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0137 0.0597 0.0903
Trypanosoma brucei glucose transporter, putative 0.0139 0.0606 0.8651
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0097 0.0723
Trichomonas vaginalis conserved hypothetical protein 0.0063 0.0201 0.0894
Loa Loa (eye worm) hypothetical protein 0.0063 0.0201 0.0894
Trypanosoma brucei glucose transporter, putative 0.0139 0.0606 0.8651
Mycobacterium tuberculosis Conserved protein 0.0043 0.0097 0.0723
Giardia lamblia Hexose transporter 0.0063 0.0201 0.346
Echinococcus multilocularis solute carrier family 22 0.0063 0.0201 0.0894
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0097 0.2441
Trypanosoma brucei THT1 - hexose transporter, putative 0.0139 0.0606 0.8651
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0448 0.2253 1
Toxoplasma gondii protein kinase, putative 0.1266 0.6612 1
Trypanosoma brucei glucose transporter 1E 0.0139 0.0606 0.8651
Loa Loa (eye worm) hypothetical protein 0.0043 0.0097 0.0432
Trypanosoma brucei THT1 - hexose transporter, putative 0.0139 0.0606 0.8651
Trichomonas vaginalis sugar transporter, putative 0.0063 0.0201 0.0894
Schistosoma mansoni protein kinase 0.0137 0.0597 0.2648
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0448 0.2253 1
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0134 0.0582 0.2583
Onchocerca volvulus 0.0063 0.0201 1
Trichomonas vaginalis esterase, putative 0.0043 0.0097 0.0432
Trichomonas vaginalis sugar transporter, putative 0.0063 0.0201 0.0894
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0157 0.0701 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.0201 0.0894
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.0104 0.046
Schistosoma mansoni nuclear transcription factor X-box binding 1 (nfx1) 0.0063 0.0201 0.0894
Brugia malayi Sugar transporter family protein 0.0063 0.0201 0.0894
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0157 0.0701 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0104 0.046
Loa Loa (eye worm) hypothetical protein 0.0063 0.0201 0.0894
Onchocerca volvulus 0.0063 0.0201 1
Echinococcus multilocularis solute carrier family 22 0.0063 0.0201 0.0894
Plasmodium falciparum hexose transporter 0.0448 0.2253 0.2253
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0097 0.0723
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0137 0.0597 0.0597
Entamoeba histolytica protein kinase, putative 0.0137 0.0597 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0137 0.0597 0.2648
Giardia lamblia Prolyl-tRNA synthetase 0.0134 0.0582 1
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0134 0.0582 0.2583
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0134 0.0582 0.2583
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0137 0.0597 0.2648
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0134 0.0582 1
Echinococcus granulosus lysyl tRNA synthetase 0.01 0.0399 0.1769
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0157 0.0701 1
Trypanosoma brucei THT1 - hexose transporter, putative 0.0139 0.0606 0.8651
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0097 0.0432
Trichomonas vaginalis sugar transporter, putative 0.0063 0.0201 0.0894
Onchocerca volvulus 0.0063 0.0201 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0104 0.046
Trypanosoma brucei glucose transporter, putative 0.0139 0.0606 0.8651
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0448 0.2253 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.0582 0.2583
Trichomonas vaginalis sugar transporter, putative 0.0063 0.0201 0.0894
Schistosoma mansoni glucose transport protein 0.0448 0.2253 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0097 0.0432
Toxoplasma gondii ABC1 family protein 0.0043 0.0097 0.0147
Schistosoma mansoni hypothetical protein 0.0448 0.2253 1
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.0104 0.1736
Brugia malayi beta-lactamase family protein 0.0043 0.0097 0.0432
Mycobacterium ulcerans hypothetical protein 0.0043 0.0097 0.2441
Chlamydia trachomatis lysine--tRNA ligase 0.01 0.0399 1
Trichomonas vaginalis glucose transporter, putative 0.0139 0.0606 0.269
Trichomonas vaginalis sugar transporter, putative 0.0063 0.0201 0.0894
Echinococcus multilocularis calcium dependent protein kinase 0.0129 0.0552 0.2448
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.01 0.0399 0.5689
Onchocerca volvulus 0.0063 0.0201 1
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.0104 0.046
Echinococcus granulosus solute carrier family 22 0.0063 0.0201 0.0894
Brugia malayi Sugar transporter family protein 0.0063 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0063 0.0201 0.0894
Trypanosoma brucei sugar transporter, putative 0.0063 0.0201 0.2874
Loa Loa (eye worm) major facilitator superfamily transporter 0.0063 0.0201 0.0894
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0137 0.0597 0.2648
Schistosoma mansoni glucose transporter 0.0063 0.0201 0.0894
Mycobacterium leprae Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0085 0.0318 0.5469
Trichomonas vaginalis sugar transporter, putative 0.0063 0.0201 0.0894
Trypanosoma brucei glucose transporter, putative 0.0139 0.0606 0.8651
Plasmodium vivax hexose transporter 0.0448 0.2253 0.2253
Trypanosoma cruzi hexose transporter, putative 0.0139 0.0606 0.8651
Onchocerca volvulus 0.0063 0.0201 1
Leishmania major glucose transporter, lmgt2 0.0139 0.0606 0.8651
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0097 0.1389
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.01 0.0399 0.6849
Leishmania major glucose transporter/membrane transporter D2, putative 0.0139 0.0606 0.8651
Brugia malayi Major Facilitator Superfamily protein 0.0063 0.0201 0.0894
Onchocerca volvulus Putative transporter 0.0063 0.0201 1
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.0104 0.046
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0104 0.046
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0097 0.0432
Echinococcus granulosus Sugar transporter ERD6 protein 0.0063 0.0201 0.0894
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.01 0.0399 0.1769
Trichomonas vaginalis conserved hypothetical protein 0.0063 0.0201 0.0894
Onchocerca volvulus 0.0063 0.0201 1
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0104 0.046
Trichomonas vaginalis myo-inositol transporter, putative 0.0063 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0139 0.0606 0.269
Trichomonas vaginalis sugar transporter, putative 0.0063 0.0201 0.0894
Loa Loa (eye worm) hypothetical protein 0.0043 0.0097 0.0432
Schistosoma mansoni lysyl-tRNA synthetase 0.01 0.0399 0.1769
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.0104 0.046
Loa Loa (eye worm) hypothetical protein 0.01 0.0399 0.1769
Mycobacterium tuberculosis Conserved protein 0.0043 0.0097 0.0723
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0097 0.0723
Loa Loa (eye worm) bifunctional aminoacyl-tRNA synthetase 0.0055 0.016 0.0709
Trichomonas vaginalis sugar transporter, putative 0.0063 0.0201 0.0894
Plasmodium vivax proline--tRNA ligase, putative 0.0157 0.0701 0.0701
Trichomonas vaginalis glucose transporter, putative 0.0063 0.0201 0.0894
Leishmania major hypothetical protein, conserved 0.0043 0.0097 0.1389
Loa Loa (eye worm) hypothetical protein 0.0063 0.0201 0.0894
Mycobacterium ulcerans sugar transporter 0.0063 0.0201 0.5052
Mycobacterium ulcerans lysyl-tRNA synthetase 0.01 0.0399 1
Trypanosoma brucei glucose transporter, putative 0.0139 0.0606 0.8651
Echinococcus granulosus solute carrier family 22 0.0063 0.0201 0.0894
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0104 0.1478
Brugia malayi lysyl-tRNA synthetase 0.01 0.0399 0.1769
Trichomonas vaginalis sugar transporter, putative 0.0139 0.0606 0.269
Plasmodium falciparum calcium-dependent protein kinase 5 0.0137 0.0597 0.0597
Onchocerca volvulus 0.0063 0.0201 1
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0134 0.0582 0.2583
Loa Loa (eye worm) hypothetical protein 0.0043 0.0097 0.0432
Mycobacterium tuberculosis Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter) 0.0063 0.0201 0.1497
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.0063 0.0201 0.5052
Loa Loa (eye worm) hypothetical protein 0.0063 0.0201 0.0894
Schistosoma mansoni sugar transporter 0.0063 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0063 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0063 0.0201 0.0894
Toxoplasma gondii sugar transporter ST3 0.0063 0.0201 0.0305
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0137 0.0597 0.2648
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0448 0.2253 1
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0137 0.0597 0.0597
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0097 0.0432
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0137 0.0597 0.0903
Trypanosoma cruzi sugar transporter, putative 0.0063 0.0201 0.2874
Loa Loa (eye worm) hypothetical protein 0.0063 0.0201 0.0894
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0097 0.0723
Mycobacterium ulcerans beta-lactamase 0.0043 0.0097 0.2441
Trichomonas vaginalis sugar transporter, putative 0.0063 0.0201 0.0894
Trypanosoma brucei glucose transporter, putative 0.0139 0.0606 0.8651
Loa Loa (eye worm) hypothetical protein 0.0063 0.0201 0.0894
Giardia lamblia Sugar-proton symporter 0.0063 0.0201 0.346
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.0063 0.0201 0.5052
Loa Loa (eye worm) hypothetical protein 0.0134 0.0582 0.2583
Treponema pallidum prolyl-tRNA synthetase 0.0047 0.0119 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0097 0.0432
Leishmania major lysyl-tRNA synthetase, putative 0.01 0.0399 0.5689
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0085 0.0318 0.2366
Trypanosoma cruzi hexose transporter, putative 0.0076 0.027 0.386
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0097 0.2441
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0097 0.0097
Trichomonas vaginalis sugar transporter, putative 0.0063 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0063 0.0201 0.0894
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0134 0.0582 0.2583
Trypanosoma brucei myo-inositol/proton symporter (MIT) 0.0063 0.0201 0.2874
Loa Loa (eye worm) hypothetical protein 0.0109 0.0448 0.1987
Onchocerca volvulus 0.0063 0.0201 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0137 0.0597 0.2648
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0134 0.0582 0.2583
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0097 0.1672
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0104 0.046
Onchocerca volvulus 0.0063 0.0201 1
Plasmodium falciparum calcium-dependent protein kinase 3 0.0137 0.0597 0.0597
Mycobacterium ulcerans lipase LipD 0.0043 0.0097 0.2441
Plasmodium falciparum protein kinase 7 0.1266 0.6612 0.6612
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0137 0.0597 0.0903
Trichomonas vaginalis sugar transporter, putative 0.0139 0.0606 0.269
Trichomonas vaginalis sugar transporter, putative 0.0063 0.0201 0.0894
Leishmania major hypothetical protein, conserved 0.0063 0.0201 0.2874
Loa Loa (eye worm) hypothetical protein 0.0063 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0063 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0063 0.0201 0.0894
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0097 0.0432
Echinococcus multilocularis General substrate transporter 0.0385 0.1918 0.851
Trichomonas vaginalis conserved hypothetical protein 0.0448 0.2253 1
Onchocerca volvulus 0.0063 0.0201 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0097 0.0432
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0157 0.0701 0.106
Plasmodium falciparum calcium-dependent protein kinase 1 0.0137 0.0597 0.0597
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0724 0.3724 0.5632
Leishmania major protein kinase, putative 0.0137 0.0597 0.8517
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0104 0.046
Onchocerca volvulus 0.0063 0.0201 1
Loa Loa (eye worm) major facilitator superfamily transporter 0.0063 0.0201 0.0894
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0448 0.2253 1
Echinococcus multilocularis synaptic vesicle 2 protein 0.0063 0.0201 0.0894
Loa Loa (eye worm) beta-lactamase 0.0043 0.0097 0.0432
Trypanosoma cruzi glucose transporter, putative 0.0063 0.0201 0.2874
Plasmodium vivax lysine--tRNA ligase, putative 0.01 0.0399 0.0399
Trichomonas vaginalis sugar transporter, putative 0.0063 0.0201 0.0894
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0097 0.0432
Entamoeba histolytica hypothetical protein 0.01 0.0399 0.6679
Onchocerca volvulus 0.0063 0.0201 1
Loa Loa (eye worm) hypothetical protein 0.0137 0.0597 0.2648
Chlamydia trachomatis proline--tRNA ligase 0.0047 0.0119 0.2978
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.0104 0.1478
Plasmodium falciparum proline--tRNA ligase 0.0157 0.0701 0.0701
Echinococcus granulosus solute carrier family 22 0.0063 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0063 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0063 0.0201 0.0894
Trichomonas vaginalis conserved hypothetical protein 0.0139 0.0606 0.269
Trypanosoma brucei glucose transporter, putative 0.0139 0.0606 0.8651
Loa Loa (eye worm) hypothetical protein 0.0043 0.0097 0.0432
Trichomonas vaginalis glucose transporter, putative 0.0139 0.0606 0.269
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0085 0.0318 0.2366
Mycobacterium ulcerans lysyl-tRNA synthetase 0.01 0.0399 1
Schistosoma mansoni lysyl-tRNA synthetase 0.01 0.0399 0.1769
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0097 0.1389
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0104 0.046
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.0104 0.046
Trichomonas vaginalis conserved hypothetical protein 0.0063 0.0201 0.0894
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0137 0.0597 0.0597
Schistosoma mansoni glucose transport protein 0.0448 0.2253 1
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0104 0.046
Loa Loa (eye worm) hypothetical protein 0.0063 0.0201 0.0894
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0724 0.3724 0.3724
Echinococcus granulosus solute carrier family 22 0.0063 0.0201 0.0894
Trypanosoma brucei glucose transporter 2A 0.0139 0.0606 0.8651
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0137 0.0597 0.2648
Leishmania major glucose transporter, lmgt1 0.0139 0.0606 0.8651
Trichomonas vaginalis sugar transporter, putative 0.0063 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0063 0.0201 0.0894
Schistosoma mansoni protein kinase 0.0137 0.0597 0.2648
Plasmodium falciparum major facilitator superfamily domain-containing protein, putative 0.0063 0.0201 0.0201
Brugia malayi Major Facilitator Superfamily protein 0.0063 0.0201 0.0894
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0097 0.0432
Onchocerca volvulus 0.0063 0.0201 1
Brugia malayi beta-lactamase 0.0043 0.0097 0.0432
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0448 0.2253 1
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0137 0.0597 0.2648
Trichomonas vaginalis CAMK family protein kinase 0.0137 0.0597 0.2648
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 0.0104 0.178
Trypanosoma cruzi hexose transporter, putative 0.0139 0.0606 0.8651
Trichomonas vaginalis sugar transporter, putative 0.0063 0.0201 0.0894
Trichomonas vaginalis sugar transport protein, putative 0.0063 0.0201 0.0894
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0097 0.0723
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0097 0.1389
Schistosoma mansoni protein kinase 0.0137 0.0597 0.2648
Trichomonas vaginalis sugar transporter, putative 0.0063 0.0201 0.0894
Plasmodium falciparum mitogen-activated protein kinase 2 0.0724 0.3724 0.3724
Brugia malayi hypothetical protein 0.0063 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0063 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0063 0.0201 0.0894
Brugia malayi beta-lactamase family protein 0.0043 0.0097 0.0432
Echinococcus multilocularis Sugar transporter ERD6 protein 0.0063 0.0201 0.0894
Plasmodium vivax sugar transporter, putative 0.0063 0.0201 0.0201
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0063 0.0201 1
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0134 0.0582 0.2583
Giardia lamblia Lysyl-tRNA synthetase 0.01 0.0399 0.6849
Trichomonas vaginalis sugar transporter, putative 0.0063 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0063 0.0201 0.0894
Brugia malayi hypothetical protein 0.0063 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0063 0.0201 0.0894
Mycobacterium ulcerans prolyl-tRNA synthetase 0.0047 0.0119 0.2978
Toxoplasma gondii facilitative glucose transporter GT1 0.0448 0.2253 0.3408
Leishmania major glucose transporter, lmgt3 0.0139 0.0606 0.8651
Echinococcus granulosus General substrate transporter 0.0385 0.1918 0.851
Echinococcus multilocularis solute carrier family 22 0.0063 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0063 0.0201 0.0894
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0157 0.0701 1
Schistosoma mansoni sugar transporter 0.0063 0.0201 0.0894
Plasmodium vivax CDK-related protein kinase 6, putative 0.1902 1 1
Onchocerca volvulus 0.0063 0.0201 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0097 0.0432
Echinococcus granulosus synaptic vesicle 2 protein 0.0063 0.0201 0.0894
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0448 0.2253 1
Toxoplasma gondii sugar transporter ST2 0.0063 0.0201 0.0305
Echinococcus multilocularis solute carrier family 22 0.0063 0.0201 0.0894
Loa Loa (eye worm) hypothetical protein 0.0063 0.0201 0.0894
Brugia malayi Major Facilitator Superfamily protein 0.0063 0.0201 0.0894
Toxoplasma gondii lysine-tRNA ligase 0.01 0.0399 0.0603
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0137 0.0597 0.2648
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.01 0.0399 0.5689
Entamoeba histolytica protein kinase, putative 0.0137 0.0597 1
Mycobacterium leprae Probable lipase LipE 0.0043 0.0097 0.1672
Loa Loa (eye worm) hypothetical protein 0.0063 0.0201 0.0894
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0097 0.0723
Toxoplasma gondii sugar transporter ST1 0.0063 0.0201 0.0305
Plasmodium falciparum lysine--tRNA ligase 0.01 0.0399 0.0399
Mycobacterium ulcerans integral membrane transport protein 0.0063 0.0201 0.5052
Trypanosoma brucei glucose transporter, putative 0.0139 0.0606 0.8651
Mycobacterium tuberculosis Probable conserved integral membrane transport protein 0.0063 0.0201 0.1497
Trypanosoma cruzi hexose transporter, putative 0.0063 0.0201 0.2874
Loa Loa (eye worm) hypothetical protein 0.0063 0.0201 0.0894
Mycobacterium tuberculosis Conserved protein 0.0043 0.0097 0.0723
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0097 0.0723
Loa Loa (eye worm) hypothetical protein 0.0063 0.0201 0.0894
Trypanosoma cruzi hexose transporter 0.0139 0.0606 0.8651
Trichomonas vaginalis conserved hypothetical protein 0.0139 0.0606 0.269
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0157 0.0701 1
Leishmania major myo-inositol/proton symporter (MIT) 0.0063 0.0201 0.2874
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0104 0.1478
Brugia malayi major facilitator superfamily protein 0.0063 0.0201 0.0894
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.1346 1
Plasmodium falciparum calcium-dependent protein kinase 2 0.0137 0.0597 0.0597
Loa Loa (eye worm) sugar transporter 0.0063 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0063 0.0201 0.0894
Onchocerca volvulus 0.0063 0.0201 1
Plasmodium falciparum calcium-dependent protein kinase 4 0.0137 0.0597 0.0597
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0104 0.1478
Trichomonas vaginalis sugar transporter, putative 0.0063 0.0201 0.0894
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0097 0.0432
Onchocerca volvulus 0.0063 0.0201 1
Echinococcus granulosus calcium dependent protein kinase 0.0129 0.0552 0.2448
Brugia malayi Cam kinase protein 1 0.0137 0.0597 0.2648
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0137 0.0597 0.2648
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0137 0.0597 0.2648
Brugia malayi hypothetical protein 0.0063 0.0201 0.0894

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.7079 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) 3.5481 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 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) 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) = 14.1254 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) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 42.2841 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (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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