Detailed information for compound 1443597

Basic information

Technical information
  • TDR Targets ID: 1443597
  • Name: IDI1_004023
  • MW: 368.383 | Formula: C20H20N2O5
  • H donors: 1 H acceptors: 3 LogP: 1.09 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN1C(=O)C2C(C1=O)C1CC2C=C1)NCC1COc2c(O1)cccc2
  • InChi: 1S/C20H20N2O5/c23-16(21-8-13-10-26-14-3-1-2-4-15(14)27-13)9-22-19(24)17-11-5-6-12(7-11)18(17)20(22)25/h1-6,11-13,17-18H,7-10H2,(H,21,23)
  • InChiKey: HLMZWNBZCZZZRY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ChemDiv2_005308
  • MLS000086383
  • N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetamide
  • SMR000021885

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Plasmodium falciparum M17 leucyl aminopeptidase Starlite/ChEMBL No references
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
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Babesia bovis leucine aminopeptidase, putative Get druggable targets OG5_127293 All targets in OG5_127293
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Chlamydia trachomatis cytosol aminopeptidase Get druggable targets OG5_127293 All targets in OG5_127293
Echinococcus multilocularis leucine aminopeptidase protein Get druggable targets OG5_127293 All targets in OG5_127293
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17 Get druggable targets OG5_127293 All targets in OG5_127293
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17, putative Get druggable targets OG5_127293 All targets in OG5_127293
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii leucyl aminopeptidase LAP Get druggable targets OG5_127293 All targets in OG5_127293
Mycobacterium leprae Probable cytosol aminopeptidase PepB Get druggable targets OG5_127293 All targets in OG5_127293
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium yoelii putative leucine aminopeptidase Get druggable targets OG5_127293 All targets in OG5_127293
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani cytosolic leucyl aminopeptidase Get druggable targets OG5_127293 All targets in OG5_127293
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Theileria parva leucine aminopeptidase, putative Get druggable targets OG5_127293 All targets in OG5_127293
Plasmodium berghei M17 leucyl aminopeptidase, putative Get druggable targets OG5_127293 All targets in OG5_127293
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17 Get druggable targets OG5_127293 All targets in OG5_127293
Plasmodium knowlesi M17 leucyl aminopeptidase, putative Get druggable targets OG5_127293 All targets in OG5_127293
Cryptosporidium parvum putative leucine aminopeptidase; of possible plant or bacterial origin Get druggable targets OG5_127293 All targets in OG5_127293
Leishmania major cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17 Get druggable targets OG5_127293 All targets in OG5_127293
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Probable aminopeptidase PepB Get druggable targets OG5_127293 All targets in OG5_127293
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium falciparum M17 leucyl aminopeptidase Get druggable targets OG5_127293 All targets in OG5_127293
Neospora caninum Probable cytosol aminopeptidase, related Get druggable targets OG5_127293 All targets in OG5_127293
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense cytosolic leucyl aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17, putative Get druggable targets OG5_127293 All targets in OG5_127293
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17 Get druggable targets OG5_127293 All targets in OG5_127293
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi cytosolic leucyl aminopeptidase, putative Get druggable targets OG5_127293 All targets in OG5_127293
Plasmodium vivax M17 leucyl aminopeptidase, putative Get druggable targets OG5_127293 All targets in OG5_127293
Cryptosporidium hominis leucine aminopeptidase Get druggable targets OG5_127293 All targets in OG5_127293
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 Get druggable targets OG5_127293 All targets in OG5_127293
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus leucine aminopeptidase protein Get druggable targets OG5_127293 All targets in OG5_127293
Trypanosoma congolense metallo-peptidase, Clan MF, Family M17, putative Get druggable targets OG5_127293 All targets in OG5_127293
Wolbachia endosymbiont of Brugia malayi leucyl aminopeptidase Get druggable targets OG5_127293 All targets in OG5_127293
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans leucyl aminopeptidase Get druggable targets OG5_127293 All targets in OG5_127293
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0101 0.0101
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-33, BmFKBP-33 0.0265 0.1258 0.126
Plasmodium vivax peptidyl-prolyl cis-trans isomerase, putative 0.0265 0.1258 0.1177
Trypanosoma cruzi macrophage infectivity potentiator, precursor, putative 0.0265 0.1258 0.1261
Leishmania major cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17 0.0127 0.0536 0.0538
Loa Loa (eye worm) inositol-1 0.0045 0.0101 0.0101
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0265 0.1258 1
Schistosoma mansoni hypothetical protein 0.0265 0.1258 0.1258
Schistosoma mansoni immunophilin 0.1928 1 1
Echinococcus multilocularis 0.0265 0.1258 0.1258
Leishmania major fk506-binding protein 1-like protein 0.1924 0.9979 1
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0127 0.0536 0.0538
Trichomonas vaginalis fk506-binding protein, putative 0.0265 0.1258 0.1177
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.1924 0.9979 1
Echinococcus granulosus leucine aminopeptidase protein 0.0127 0.0536 0.0536
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.1924 0.9979 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0095 0.0095
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0095 0.0095
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0101 0.0006
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0265 0.1258 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0095 0.0095
Brugia malayi Inositol-1 0.0045 0.0101 0.0101
Trypanosoma brucei FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0265 0.1258 0.1261
Toxoplasma gondii leucyl aminopeptidase LAP 0.0127 0.0536 0.3795
Mycobacterium tuberculosis Conserved protein 0.0043 0.0095 0.0149
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0101 0.0006
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.1327 1
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0265 0.1258 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0095 0.0095
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase, putative 0.0265 0.1258 0.0764
Chlamydia trachomatis peptidyl-prolyl cis-trans isomerase 0.0265 0.1258 1
Onchocerca volvulus 0.0265 0.1258 0.9958
Plasmodium vivax M17 leucyl aminopeptidase, putative 0.0127 0.0536 0.0447
Schistosoma mansoni inositol monophosphatase 0.0045 0.0101 0.0101
Trichomonas vaginalis fk506-binding protein, putative 0.1924 0.9979 1
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.1924 0.9979 1
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-33 0.0265 0.1258 0.1261
Mycobacterium leprae Probable cytosol aminopeptidase PepB 0.0127 0.0536 0.3892
Trichomonas vaginalis conserved hypothetical protein 0.0265 0.1258 0.1177
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.1928 1 1
Echinococcus granulosus FK506 binding protein 8 38 kDa 0.0265 0.1258 0.1258
Trichomonas vaginalis immunophilin, putative 0.1924 0.9979 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0101 0.0101
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0095 0.0095
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0265 0.1258 1
Echinococcus granulosus FK506 binding protein 2 0.0265 0.1258 0.1258
Echinococcus multilocularis leucine aminopeptidase protein 0.0127 0.0536 0.0536
Toxoplasma gondii peptidyl-prolyl isomerase FKBP12, putative 0.0265 0.1258 1
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.1924 0.9979 1
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.1924 0.9979 1
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.1924 0.9979 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0095 0.0149
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-30 0.0265 0.1258 0.1261
Trichomonas vaginalis fk506-binding protein, putative 0.0265 0.1258 0.1177
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0095 0.0095
Leishmania major peptidylprolyl isomerase-like protein 0.1924 0.9979 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.0095 0.0149
Trypanosoma cruzi cytosolic leucyl aminopeptidase, putative 0.0127 0.0536 0.0538
Echinococcus multilocularis fk506 binding protein 0.1924 0.9979 0.9979
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0101 0.0101
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.1924 0.9979 1
Leishmania major FKBP-type peptidyl-prolyl cis-trans isomerase, putative 0.0265 0.1258 0.1261
Schistosoma mansoni fk506 binding protein 0.0265 0.1258 0.1258
Leishmania major peptidyl-prolyl cis-trans isomerase, macrophage infectivity potentiator precursor, putative 0.0265 0.1258 0.1261
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0265 0.1258 0.1261
Schistosoma mansoni inositol monophosphatase 0.0045 0.0101 0.0101
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.1924 0.9979 1
Mycobacterium tuberculosis Probable aminopeptidase PepB 0.0127 0.0536 0.3679
Trypanosoma cruzi FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0265 0.1258 0.1261
Loa Loa (eye worm) hypothetical protein 0.166 0.8593 0.861
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0095 0.0149
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0095 0.0095
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0095 0.0095
Trypanosoma brucei macrophage infectivity potentiator, precursor, putative 0.0265 0.1258 0.1261
Trypanosoma cruzi FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0265 0.1258 0.1261
Mycobacterium leprae PROBABLE TRIGGER FACTOR (TF) PROTEIN TIG 0.0265 0.1258 1
Brugia malayi beta-lactamase 0.0043 0.0095 0.0095
Brugia malayi beta-lactamase family protein 0.0043 0.0095 0.0095
Loa Loa (eye worm) beta-lactamase 0.0043 0.0095 0.0095
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.1924 0.9979 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0101 0.0006
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0095 0.0149
Mycobacterium ulcerans hypothetical protein 0.0265 0.1258 0.1177
Schistosoma mansoni immunophilin 0.1663 0.8608 0.8608
Loa Loa (eye worm) hypothetical protein 0.0043 0.0095 0.0095
Brugia malayi beta-lactamase family protein 0.0043 0.0095 0.0095
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0095 0.0149
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0101 0.0006
Loa Loa (eye worm) hypothetical protein 0.0265 0.1258 0.1261
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0095 0.0149
Loa Loa (eye worm) hypothetical protein 0.0043 0.0095 0.0095
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.1924 0.9979 1
Onchocerca volvulus 0.0266 0.1263 1
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0095 0.0149
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0095 0.0095
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.1928 1 1
Trypanosoma brucei hypothetical protein, conserved 0.0265 0.1258 0.1261
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0101 0.0051
Loa Loa (eye worm) FKBP5 protein 0.1924 0.9979 1
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.1924 0.9979 0.9995
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.1924 0.9979 0.9979
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.1924 0.9979 0.9979
Loa Loa (eye worm) hypothetical protein 0.0043 0.0095 0.0095
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17, putative 0.0127 0.0536 0.0538
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.1925 0.9984 1
Leishmania major peptidyl-prolyl cis-trans isomerase, putative 0.0265 0.1258 0.1261
Trichomonas vaginalis conserved hypothetical protein 0.0265 0.1258 0.1177
Trichomonas vaginalis fk506 binding protein, putative 0.0265 0.1258 0.1177
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.1924 0.9979 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.0095 0.0149
Wolbachia endosymbiont of Brugia malayi leucyl aminopeptidase 0.0127 0.0536 0.3763
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0101 0.0101
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.1663 0.8608 0.8608
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0265 0.1258 0.1169
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.1663 0.8608 0.8608
Mycobacterium leprae Probable lipase LipE 0.0043 0.0095 0.0158
Mycobacterium tuberculosis Probable trigger factor (TF) protein Tig 0.0265 0.1258 0.9452
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.1924 0.9979 1
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.1924 0.9979 1
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.1928 1 1
Echinococcus multilocularis FK506 binding protein 8, 38 kDa 0.0269 0.1279 0.1279
Loa Loa (eye worm) hypothetical protein 0.0043 0.0095 0.0095
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.1924 0.9979 1
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0095 0.0149
Leishmania major hypothetical protein, conserved 0.0043 0.0095 0.0095
Loa Loa (eye worm) hypothetical protein 0.0043 0.0095 0.0095
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0095 0.0095
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-13 0.0265 0.1258 0.1261
Mycobacterium ulcerans leucyl aminopeptidase 0.0127 0.0536 0.0447
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-30, BmFKBP-30 0.0265 0.1258 0.126
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-13, BmFKBP-13 0.0265 0.1258 0.126
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.1924 0.9979 1
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0265 0.1258 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0265 0.1258 0.1261
Schistosoma mansoni immunophilin 0.1928 1 1
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0095 0.0158
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0265 0.1258 0.1261
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0265 0.1258 0.1169
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0101 0.0101
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0101 0.0101

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 2.19 um PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M17- Family Leucine Aminopeptidase (M17LAP). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.631 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) 0.7079 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 1.0418 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) = 1.122 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens 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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