Detailed information for compound 1354650

Basic information

Technical information
  • TDR Targets ID: 1354650
  • Name: 2-[4-(2-carboxycyclohexanecarbonyl)oxybutoxyc arbonyl]cyclohexane-1-carboxylic acid
  • MW: 398.447 | Formula: C20H30O8
  • H donors: 2 H acceptors: 6 LogP: 2.86 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCCCC1C(=O)O)OCCCCOC(=O)C1CCCCC1C(=O)O
  • InChi: 1S/C20H30O8/c21-17(22)13-7-1-3-9-15(13)19(25)27-11-5-6-12-28-20(26)16-10-4-2-8-14(16)18(23)24/h13-16H,1-12H2,(H,21,22)(H,23,24)
  • InChiKey: CAOCATZETDLGIH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-[(2-carboxycyclohexyl)-oxomethoxy]butoxy-oxomethyl]-1-cyclohexanecarboxylic acid
  • 2-[4-(2-carboxycyclohexyl)carbonyloxybutoxycarbonyl]cyclohexane-1-carboxylic acid
  • MLS000111131
  • SMR000107058

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0298 0.0508
Trypanosoma brucei antigen, putative 0.0089 0.0759 0.2139
Toxoplasma gondii calmodulin CAM2 0.0022 0.0001 0.0005
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0242 0.0717
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0054 0.0157
Trypanosoma cruzi cytoskeleton-associated protein CAP5.5, putative 0.0027 0.0052 0.0087
Schistosoma mansoni hypothetical protein 0.0167 0.1647 0.2808
Trypanosoma brucei calpain-like protein, putative 0.0089 0.0759 0.2139
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0044 0.0245 0.5
Trichomonas vaginalis calpain, putative 0.0027 0.0052 0.0152
Schistosoma mansoni serine/threonine protein kinase 0.005 0.0311 0.0531
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0089 0.0759 0.1293
Echinococcus granulosus programmed cell death protein 6 0.0022 0.0001 0.0002
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0212 0.1211
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0318 0.3357 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0089 0.0759 0.1293
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0318 0.3357 0.5724
Onchocerca volvulus 0.0044 0.0245 0.1396
Plasmodium vivax myosin A tail domain interacting protein MTIP, putative 0.0022 0.0001 0.0003
Loa Loa (eye worm) calpain D 0.0027 0.0052 0.0089
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0318 0.3357 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0318 0.3357 1
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0027 0.0052 0.0087
Schistosoma mansoni myosin regulatory light chain 0.0022 0.0001 0.0002
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0089 0.0759 0.1293
Schistosoma mansoni myosin light chain 0.0022 0.0001 0.0002
Mycobacterium tuberculosis Probable trigger factor (TF) protein Tig 0.0044 0.0245 0.0003
Loa Loa (eye worm) hypothetical protein 0.0174 0.1721 0.2935
Trypanosoma cruzi cytoskeleton-associated protein CAP5.5, putative 0.0027 0.0052 0.0087
Echinococcus granulosus neuropeptide receptor A26 0.045 0.4858 0.8284
Brugia malayi RasGEF domain containing protein 0.0022 0.0001 0.0002
Echinococcus multilocularis calpain 7 (C02 family) 0.0089 0.0759 0.1294
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0044 0.0245 0.0726
Brugia malayi Heterochromatin protein 1 0.0068 0.0518 0.0883
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0318 0.3357 0.5724
Giardia lamblia Cathepsin B precursor 0.0178 0.1766 0.5261
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0318 0.3357 1
Schistosoma mansoni myosin regulatory light chain 0.0022 0.0001 0.0002
Schistosoma mansoni immunophilin 0.0318 0.3357 0.5724
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0242 0.072
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.005 0.0311 0.0784
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0089 0.0759 0.1293
Echinococcus granulosus neuropeptide s receptor 0.045 0.4858 0.8284
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0242 0.0412
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0027 0.0052 0.0087
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0253 0.2622 0.4471
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0027 0.0052 0.0087
Brugia malayi MAP kinase sur-1 0.005 0.0311 0.0531
Schistosoma mansoni hypothetical protein 0.0033 0.0124 0.0211
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0178 0.1766 0.3011
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase, putative 0.0044 0.0245 0.0726
Schistosoma mansoni chromobox protein 0.0068 0.0518 0.0883
Trypanosoma cruzi centrin-3 0.0039 0.0195 0.0331
Brugia malayi calpain 7 0.0089 0.0759 0.1294
Echinococcus multilocularis hypothetical protein 0.0089 0.0759 0.1294
Echinococcus granulosus calpain 0.0089 0.0759 0.1294
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0155 0.1504 0.2565
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0539 0.5864 1
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0089 0.0759 0.1293
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0027 0.0052 0.0087
Brugia malayi calpain D 0.0027 0.0052 0.0089
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-13, BmFKBP-13 0.0044 0.0245 0.0417
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.018 0.1024
Trypanosoma brucei cysteine peptidase C (CPC) 0.0178 0.1766 0.5188
Echinococcus granulosus cathepsin b 0.0539 0.5864 1
Echinococcus multilocularis calpain 0.0089 0.0759 0.1294
Leishmania major fk506-binding protein 1-like protein 0.0318 0.3357 1
Echinococcus multilocularis calpain family protein 1, d 0.0174 0.1721 0.2935
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0242 0.0412
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0212 0.063
Schistosoma mansoni immunophilin 0.0274 0.286 0.4877
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0044 0.0245 0.1385
Echinococcus granulosus calpain 7 C02 family 0.0089 0.0759 0.1294
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0242 0.0412
Chlamydia trachomatis peptidyl-prolyl cis-trans isomerase 0.0044 0.0245 0.5
Leishmania major kinesin, putative 0.0062 0.0455 0.122
Echinococcus granulosus mitogen activated protein kinase 0.005 0.0311 0.0531
Loa Loa (eye worm) heterochromatin protein 1 0.0068 0.0518 0.0883
Trypanosoma cruzi FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0044 0.0245 0.0416
Echinococcus multilocularis Calcium binding protein 0.0022 0.0001 0.0002
Schistosoma mansoni hypothetical protein 0.0035 0.0146 0.0248
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.005 0.0311 0.0784
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0318 0.3357 0.3192
Loa Loa (eye worm) hypothetical protein 0.0236 0.2428 0.414
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0089 0.0759 0.2139
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.2901 0.2725
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0242 0.0574
Brugia malayi Neuronal calcium sensor family protein 1 0.0022 0.0001 0.0002
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0242 0.0717
Entamoeba histolytica hypothetical protein 0.0035 0.0146 0.0431
Echinococcus multilocularis cathepsin b 0.0539 0.5864 1
Plasmodium vivax peptidyl-prolyl cis-trans isomerase, putative 0.0044 0.0245 0.0729
Echinococcus granulosus FK506 binding protein 8 38 kDa 0.0044 0.0245 0.0417
Echinococcus multilocularis fk506 binding protein 0.0318 0.3357 0.5724
Leishmania major hypothetical protein, conserved 0.0043 0.0242 0.0574
Trichomonas vaginalis calpain, putative 0.0027 0.0052 0.0152
Echinococcus granulosus chromobox protein 1 0.0068 0.0518 0.0883
Trypanosoma cruzi kinesin, putative 0.0062 0.0455 0.0775
Echinococcus granulosus mitogen activated protein kinase 3 0.005 0.0311 0.0531
Echinococcus multilocularis FK506 binding protein 8, 38 kDa 0.0044 0.0245 0.0417
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0311 0.0924
Brugia malayi calpain family protein 1 0.0236 0.2428 0.414
Giardia lamblia Kinase, CMGC MAPK 0.005 0.0311 0.0924
Trichomonas vaginalis immunophilin, putative 0.0318 0.3357 1
Echinococcus multilocularis programmed cell death protein 0.0039 0.0195 0.0333
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0254 0.0432
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0539 0.5864 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0126 0.0215
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0539 0.5864 1
Trypanosoma brucei centrin-3 0.0039 0.0195 0.0433
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0044 0.0245 0.5
Trichomonas vaginalis calmodulin, putative 0.0039 0.0195 0.0578
Trichomonas vaginalis fk506-binding protein, putative 0.0044 0.0245 0.0726
Echinococcus granulosus chromobox protein 1 0.0068 0.0518 0.0883
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0027 0.0052 0.0087
Leishmania major peptidylprolyl isomerase-like protein 0.0318 0.3357 1
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.0089 0.0759 0.2139
Schistosoma mansoni immunophilin 0.0318 0.3357 0.5724
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0318 0.3357 1
Echinococcus granulosus calpain 5 0.0089 0.0759 0.1294
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0044 0.0245 0.0726
Echinococcus granulosus calcyphosin protein 0.0022 0.0001 0.0002
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0311 0.0924
Onchocerca volvulus 0.003 0.0086 0.049
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0539 0.5864 1
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0253 0.2622 0.4471
Loa Loa (eye worm) hypothetical protein 0.0022 0.0001 0.0002
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0044 0.0245 0.0726
Brugia malayi calpain 5 0.0062 0.0455 0.0776
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0253 0.2622 0.4471
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0311 0.0924
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.005 0.0311 0.0531
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0254 0.0432
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0044 0.0245 0.0416
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0089 0.0759 0.1293
Loa Loa (eye worm) calpain 5 0.0062 0.0455 0.0776
Loa Loa (eye worm) calpain family protein 1 0.0236 0.2428 0.414
Echinococcus multilocularis calcyphosin protein 0.0022 0.0001 0.0002
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-33, BmFKBP-33 0.0044 0.0245 0.0417
Echinococcus multilocularis calpain A 0.0253 0.2622 0.4471
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0146 0.0248
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0044 0.0245 0.1385
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0146 0.0248
Trypanosoma cruzi conserved protein 0.0027 0.0052 0.0087
Loa Loa (eye worm) FKBP5 protein 0.0318 0.3357 0.5724
Trypanosoma brucei kinesin, putative 0.0062 0.0455 0.122
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0242 0.0412
Trypanosoma cruzi centrin, putative 0.0039 0.0195 0.0331
Echinococcus granulosus programmed cell death protein 0.0039 0.0195 0.0333
Leishmania major peptidyl-prolyl cis-trans isomerase, macrophage infectivity potentiator precursor, putative 0.0044 0.0245 0.0583
Trichomonas vaginalis fk506 binding protein, putative 0.0044 0.0245 0.0726
Echinococcus multilocularis 0.0044 0.0245 0.0417
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0298 0.0508
Schistosoma mansoni calmodulin-related 0.0022 0.0001 0.0002
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-13 0.0044 0.0245 0.0417
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0044 0.0245 0.0726
Brugia malayi Probable myosin regulatory light chain 0.0022 0.0001 0.0002
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0027 0.0052 0.0087
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0318 0.3357 0.5723
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0027 0.0052 0.0152
Echinococcus multilocularis chromobox protein 1 0.0068 0.0518 0.0883
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0242 0.0717
Loa Loa (eye worm) myosin Light Chain family member 0.0022 0.0001 0.0002
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0254 0.0432
Trichomonas vaginalis calpain, putative 0.0027 0.0052 0.0152
Loa Loa (eye worm) hypothetical protein 0.0043 0.0242 0.0412
Loa Loa (eye worm) hypothetical protein 0.003 0.0086 0.0147
Trypanosoma brucei calpain-like protein, putative 0.0089 0.0759 0.2139
Onchocerca volvulus 0.0043 0.0242 0.1378
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0274 0.286 0.4877
Echinococcus multilocularis mitogen activated protein kinase 0.005 0.0311 0.0531
Toxoplasma gondii hypothetical protein 0.0027 0.0052 0.0294
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.005 0.0311 0.0529
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0027 0.0052 0.0152
Schistosoma mansoni hypothetical protein 0.0167 0.1647 0.2808
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0089 0.0759 0.1293
Giardia lamblia Cathepsin B precursor 0.0178 0.1766 0.5261
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0274 0.286 0.4877
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0044 0.0245 0.1385
Brugia malayi beta-lactamase family protein 0.0043 0.0242 0.0412
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0027 0.0052 0.0087
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0318 0.3357 0.5724
Entamoeba histolytica hypothetical protein 0.0035 0.0146 0.0431
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0254 0.0432
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.0311 0.0529
Onchocerca volvulus 0.0176 0.1747 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0178 0.1766 0.5261
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0089 0.0759 0.1293
Trypanosoma cruzi macrophage infectivity potentiator, precursor, putative 0.0044 0.0245 0.0416
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0242 0.0717
Loa Loa (eye worm) hypothetical protein 0.0043 0.0242 0.0412
Leishmania major peptidyl-prolyl cis-trans isomerase, putative 0.0044 0.0245 0.0583
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0318 0.3357 1
Brugia malayi hypothetical protein 0.0035 0.0146 0.0248
Mycobacterium ulcerans short chain dehydrogenase 0.0903 1 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0027 0.0052 0.0087
Trypanosoma brucei FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0044 0.0245 0.0583
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0318 0.3357 0.5723
Trypanosoma brucei hypothetical protein, conserved 0.0044 0.0245 0.0583
Onchocerca volvulus 0.0033 0.0126 0.0716
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.018 0.0533
Trichomonas vaginalis calcium binding protein, putative 0.0039 0.0195 0.0578
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0254 0.0432
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0245 0.0726
Trichomonas vaginalis chromobox protein, putative 0.0068 0.0518 0.1541
Echinococcus multilocularis neuropeptide s receptor 0.045 0.4858 0.8284
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-30 0.0044 0.0245 0.0417
Echinococcus multilocularis programmed cell death protein 0.0039 0.0195 0.0333
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0044 0.0245 0.0416
Toxoplasma gondii calcium binding protein precursor, putative 0.0022 0.0001 0.0005
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0318 0.3357 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0001 0.0002
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0236 0.2428 0.414
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0027 0.0052 0.0087
Loa Loa (eye worm) hypothetical protein 0.0043 0.0242 0.0412
Loa Loa (eye worm) hypothetical protein 0.0022 0.0001 0.0002
Trypanosoma cruzi kinesin, putative 0.0062 0.0455 0.0775
Entamoeba histolytica calpain family cysteine protease, putative 0.0027 0.0052 0.0152
Entamoeba histolytica hypothetical protein 0.0035 0.0146 0.0431
Entamoeba histolytica grainin 2 0.0039 0.0195 0.0578
Loa Loa (eye worm) myosin regulatory light chain 1 0.0022 0.0001 0.0002
Trichomonas vaginalis fk506-binding protein, putative 0.0318 0.3357 1
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0318 0.3357 1
Trypanosoma brucei macrophage infectivity potentiator, precursor, putative 0.0044 0.0245 0.0583
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0254 0.0432
Schistosoma mansoni hypothetical protein 0.0027 0.0052 0.0089
Entamoeba histolytica protein kinase, putative 0.0063 0.046 0.1369
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0212 0.063
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0245 0.0726
Echinococcus granulosus cathepsin b 0.0539 0.5864 1
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-30, BmFKBP-30 0.0044 0.0245 0.0417
Onchocerca volvulus 0.0147 0.1417 0.8111
Leishmania major FKBP-type peptidyl-prolyl cis-trans isomerase, putative 0.0044 0.0245 0.0583
Schistosoma mansoni chromobox protein 0.0068 0.0518 0.0883
Toxoplasma gondii cathepsin B 0.0178 0.1766 1
Schistosoma mansoni hypothetical protein 0.0044 0.0245 0.0417
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0298 0.0508
Trypanosoma brucei calpain-like protein, putative 0.0089 0.0759 0.2139
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0242 0.0717
Echinococcus granulosus calpain A 0.0253 0.2622 0.4471
Schistosoma mansoni calpain-7 (C02 family) 0.0089 0.0759 0.1294
Loa Loa (eye worm) hypothetical protein 0.0048 0.0298 0.0508
Trichomonas vaginalis hypothetical protein 0.0027 0.0052 0.0152
Trichomonas vaginalis chromobox protein, putative 0.0068 0.0518 0.1541
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0318 0.3357 0.5723
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0242 0.041
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0044 0.0245 0.0583
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0089 0.0759 0.1293
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0027 0.0052 0.0152
Toxoplasma gondii calmodulin, putative 0.0022 0.0001 0.0005
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0311 0.0924
Schistosoma mansoni fk506 binding protein 0.0044 0.0245 0.0417
Schistosoma mansoni calpain-2 (C02 family) 0.0027 0.0052 0.0089
Loa Loa (eye worm) hypothetical protein 0.0038 0.018 0.0306
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0318 0.3357 1
Echinococcus granulosus geminin 0.0167 0.1647 0.2808
Brugia malayi beta-lactamase 0.0043 0.0242 0.0412
Trypanosoma brucei protein kinase, putative 0.005 0.0311 0.0784
Loa Loa (eye worm) hypothetical protein 0.0274 0.286 0.4877
Plasmodium vivax calpain, putative 0.0089 0.0759 0.2261
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.005 0.0311 0.0529
Brugia malayi cathepsin B-like cysteine proteinase 0.0539 0.5864 1
Toxoplasma gondii centrin family protein 0.0022 0.0001 0.0005
Onchocerca volvulus 0.0044 0.0245 0.1396
Echinococcus multilocularis neuropeptide receptor A26 0.045 0.4858 0.8284
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0318 0.3357 0.5724
Schistosoma mansoni Mername-AA248 (C02 family) 0.0089 0.0759 0.1294
Loa Loa (eye worm) hypothetical protein 0.0033 0.0124 0.0211
Echinococcus granulosus calpain A 0.0089 0.0759 0.1294
Echinococcus granulosus FK506 binding protein 2 0.0044 0.0245 0.0417
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0027 0.0052 0.0087
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0146 0.0248
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0054 0.0157
Brugia malayi calpain family protein 1 0.0236 0.2428 0.414
Echinococcus multilocularis cathepsin b 0.0539 0.5864 1
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0318 0.3357 0.5724
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0027 0.0052 0.0152
Mycobacterium ulcerans hypothetical protein 0.0044 0.0245 0.0003
Trichomonas vaginalis esterase, putative 0.0043 0.0242 0.0717
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0044 0.0245 0.0726
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0242 0.041
Entamoeba histolytica calpain large subunit domain III containing protein 0.0062 0.0455 0.1353
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0027 0.0052 0.0087
Loa Loa (eye worm) calpain 0.0089 0.0759 0.1294
Echinococcus multilocularis chromobox protein 1 0.0068 0.0518 0.0883
Echinococcus granulosus Calcium binding protein 0.0022 0.0001 0.0002
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0027 0.0052 0.0087
Loa Loa (eye worm) calpain family protein 1 0.0174 0.1721 0.2935
Loa Loa (eye worm) hypothetical protein 0.0043 0.0242 0.0412
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0318 0.3357 0.5724
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0178 0.1766 0.3012
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0027 0.0052 0.0087
Toxoplasma gondii ABC1 family protein 0.0043 0.0242 0.1368
Loa Loa (eye worm) cathepsin B 0.0178 0.1766 0.3012
Trypanosoma cruzi cytoskeleton-associated protein CAP5.5, putative 0.0027 0.0052 0.0087
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0027 0.0052 0.0152
Loa Loa (eye worm) beta-lactamase 0.0043 0.0242 0.0412
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0052 0.0152
Echinococcus multilocularis geminin 0.0167 0.1647 0.2808
Toxoplasma gondii calpain family cysteine protease domain-containing protein 0.0027 0.0052 0.0294
Loa Loa (eye worm) hypothetical protein 0.0147 0.1417 0.2417
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0089 0.0759 0.1293
Trypanosoma brucei calpain-like protein, putative 0.0089 0.0759 0.2139
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0253 0.2622 0.4471
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0027 0.0052 0.0152
Entamoeba histolytica hypothetical protein 0.0035 0.0146 0.0431
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0089 0.0759 0.2139
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0089 0.0759 0.2139
Loa Loa (eye worm) hypothetical protein 0.0043 0.0242 0.0412
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-33 0.0044 0.0245 0.0417
Loa Loa (eye worm) hypothetical protein 0.0043 0.0242 0.0412
Giardia lamblia Cathepsin B precursor 0.0178 0.1766 0.5261
Loa Loa (eye worm) hypothetical protein 0.0027 0.0052 0.0089
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.005 0.0311 0.0784
Echinococcus multilocularis programmed cell death protein 6 0.0022 0.0001 0.0002
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0242 0.0412
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0539 0.5864 1
Trichomonas vaginalis set domain proteins, putative 0.0176 0.1747 0.5203
Echinococcus granulosus Myosin regulatory light chain 0.0022 0.0001 0.0002
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0254 0.0432
Schistosoma mansoni calpain (C02 family) 0.0089 0.0759 0.1294
Trypanosoma brucei caltractin, putative 0.0039 0.0195 0.0433
Giardia lamblia Hypothetical protein 0.0044 0.0245 0.0726
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.0311 0.0529
Brugia malayi Myosin regulatory light chain 1 0.0022 0.0001 0.0002
Loa Loa (eye worm) hypothetical protein 0.0539 0.5864 1
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.018 0.0533
Trichomonas vaginalis fk506-binding protein, putative 0.0044 0.0245 0.0726
Echinococcus multilocularis Myosin regulatory light chain 0.0022 0.0001 0.0002
Schistosoma mansoni calpain-7 (C02 family) 0.0089 0.0759 0.1294
Toxoplasma gondii peptidyl-prolyl isomerase FKBP12, putative 0.0044 0.0245 0.1385
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0318 0.3357 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0027 0.0052 0.0087
Echinococcus multilocularis calpain 5 0.0089 0.0759 0.1294
Onchocerca volvulus 0.0043 0.0242 0.1378
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0242 0.0412
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0318 0.3357 0.5723
Loa Loa (eye worm) hypothetical protein 0.0209 0.2124 0.3622
Plasmodium falciparum calpain 0.0027 0.0052 0.0152
Loa Loa (eye worm) hypothetical protein 0.0044 0.0245 0.0417
Toxoplasma gondii EF hand domain-containing protein 0.0022 0.0001 0.0005
Trypanosoma cruzi FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0044 0.0245 0.0416
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0027 0.0052 0.0087
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0178 0.1766 0.5188
Echinococcus multilocularis mitogen activated protein kinase 3 0.005 0.0311 0.0531
Brugia malayi calpain 5 0.0027 0.0052 0.0089
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0254 0.0432
Trypanosoma cruzi centrin, putative 0.0039 0.0195 0.0331
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0254 0.0432
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0124 0.0211
Mycobacterium leprae PROBABLE TRIGGER FACTOR (TF) PROTEIN TIG 0.0044 0.0245 1
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0318 0.3357 1
Schistosoma mansoni calpain C (C02 family) 0.0089 0.0759 0.1294
Onchocerca volvulus 0.0043 0.0242 0.1378
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0089 0.0759 0.2139
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0318 0.3357 0.5724
Brugia malayi Pre-SET motif family protein 0.0155 0.1504 0.2565
Brugia malayi chromobox protein homolog 3 0.0038 0.018 0.0306
Brugia malayi beta-lactamase family protein 0.0043 0.0242 0.0412
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.005 0.0311 0.1762

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 5.0119 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) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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