Detailed information for compound 1429863

Basic information

Technical information
  • TDR Targets ID: 1429863
  • Name: 1-[2-(2-chlorophenyl)-4-(ethoxy-phenylphospho ryl)-1,3-oxazol-5-yl]piperidine
  • MW: 430.864 | Formula: C22H24ClN2O3P
  • H donors: 0 H acceptors: 2 LogP: 5.25 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOP(=O)(c1nc(oc1N1CCCCC1)c1ccccc1Cl)c1ccccc1
  • InChi: 1S/C22H24ClN2O3P/c1-2-27-29(26,17-11-5-3-6-12-17)21-22(25-15-9-4-10-16-25)28-20(24-21)18-13-7-8-14-19(18)23/h3,5-8,11-14H,2,4,9-10,15-16H2,1H3
  • InChiKey: AIVPWARKSDFLRL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[2-(2-chlorophenyl)-4-(ethoxy-phenyl-phosphoryl)oxazol-5-yl]piperidine
  • 1-[2-(2-chlorophenyl)-4-(ethoxy-phenylphosphoryl)-5-oxazolyl]piperidine
  • 1-[2-(2-chlorophenyl)-4-(ethoxy-phenyl-phosphoryl)-1,3-oxazol-5-yl]piperidine
  • Oprea1_357063
  • MLS000546654
  • SMR000114417
  • ethyl 2-(2-chlorophenyl)-5-(1-piperidinyl)-1,3-oxazol-4-yl(phenyl)phosphinate
  • ZINC02067510
  • ZINC02067511

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Sus scrofa Trypsin Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit Starlite/ChEMBL No references
Homo sapiens Ras converting CAAX endopeptidase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Giardia lamblia Hypothetical protein Get druggable targets OG5_129169 All targets in OG5_129169
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K08658 prenyl protein peptidase, putative Get druggable targets OG5_129169 All targets in OG5_129169
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126639 All targets in OG5_126639
Echinococcus granulosus CAAX prenyl protease 2 Get druggable targets OG5_129169 All targets in OG5_129169
Leishmania mexicana CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) Get druggable targets OG5_129169 All targets in OG5_129169
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni family U48 unassigned peptidase (U48 family) Get druggable targets OG5_129169 All targets in OG5_129169
Treponema pallidum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Leishmania infantum CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) Get druggable targets OG5_129169 All targets in OG5_129169
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126639 All targets in OG5_126639
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K01358 ATP-dependent Clp protease, protease subunit [EC3.4.21.92], putative Get druggable targets OG5_127187 All targets in OG5_127187
Trypanosoma brucei gambiense CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48), putative Get druggable targets OG5_129169 All targets in OG5_129169
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis CAAX prenyl protease 2 Get druggable targets OG5_129169 All targets in OG5_129169
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K06275 parvin, putative Get druggable targets OG5_127187 All targets in OG5_127187
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K09639 transmembrane protease, serine 8, putative Get druggable targets OG5_126639 All targets in OG5_126639
Schistosoma japonicum expressed protein Get druggable targets OG5_129169 All targets in OG5_129169
Trypanosoma brucei CAAX amino terminal protease, putative Get druggable targets OG5_129169 All targets in OG5_129169
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) Get druggable targets OG5_126639 All targets in OG5_126639
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Entamoeba histolytica CAAX prenyl protease family Get druggable targets OG5_129169 All targets in OG5_129169
Babesia bovis ATP-dependent Clp protease proteolytic subunit 1, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) Get druggable targets OG5_126639 All targets in OG5_126639
Schistosoma mansoni peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi Probable ClpP-like protease Get druggable targets OG5_127187 All targets in OG5_127187
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) Get druggable targets OG5_129169 All targets in OG5_129169
Brugia malayi CAAX amino terminal protease family protein Get druggable targets OG5_129169 All targets in OG5_129169
Trypanosoma cruzi CAAX prenyl protease 2, putative Get druggable targets OG5_129169 All targets in OG5_129169
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Trypanosoma congolense CAAX amino terminal protease, putative Get druggable targets OG5_129169 All targets in OG5_129169
Onchocerca volvulus Get druggable targets OG5_126639 All targets in OG5_126639
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129169 All targets in OG5_129169
Onchocerca volvulus Get druggable targets OG5_126639 All targets in OG5_126639
Plasmodium yoelii ATP-dependent Clp protease, proteolytic subunit ClpP, putative Get druggable targets OG5_127187 All targets in OG5_127187
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like Get druggable targets OG5_129169 All targets in OG5_129169
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi Trypsin family protein Get druggable targets OG5_126639 All targets in OG5_126639
Leishmania donovani CAAX prenyl protease 2, putative Get druggable targets OG5_129169 All targets in OG5_129169
Echinococcus granulosus peptidase Clp S14 family Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni family U48 unassigned peptidase (U48 family) Get druggable targets OG5_129169 All targets in OG5_129169
Candida albicans ras and a-factor terminal proteolysis Get druggable targets OG5_129169 All targets in OG5_129169
Echinococcus multilocularis peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Candida albicans ras and a-factor terminal proteolysis Get druggable targets OG5_129169 All targets in OG5_129169
Neospora caninum ATP-dependent Clp protease proteolytic subunit, related Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K09639 transmembrane protease, serine 8, putative Get druggable targets OG5_126639 All targets in OG5_126639
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) Get druggable targets OG5_129169 All targets in OG5_129169
Leishmania braziliensis CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) Get druggable targets OG5_129169 All targets in OG5_129169
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Drosophila melanogaster CG32277 gene product from transcript CG32277-RA Trypsin   231 aa 221 aa 33.5 %
Loa Loa (eye worm) hypothetical protein Trypsin   231 aa 238 aa 21.4 %
Drosophila melanogaster Jonah 66Ci Trypsin   231 aa 234 aa 32.9 %
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family Trypsin   231 aa 286 aa 24.8 %
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.1 %
Drosophila melanogaster CG5909 gene product from transcript CG5909-RA Trypsin   231 aa 256 aa 28.9 %
Drosophila melanogaster CG30287 gene product from transcript CG30287-RA Trypsin   231 aa 249 aa 27.7 %
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 35.5 %
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) Trypsin   231 aa 302 aa 24.8 %
Drosophila melanogaster CG33465 gene product from transcript CG33465-RC Trypsin   231 aa 225 aa 21.8 %
Treponema pallidum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 186 aa 40.3 %
Echinococcus multilocularis enteropeptidase Trypsin   231 aa 230 aa 27.8 %
Drosophila melanogaster CG18180 gene product from transcript CG18180-RA Trypsin   231 aa 233 aa 27.9 %
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 180 aa 36.7 %
Drosophila melanogaster CG9673 gene product from transcript CG9673-RB Trypsin   231 aa 239 aa 27.6 %
Echinococcus multilocularis glycoprotein Antigen 5 Trypsin   231 aa 301 aa 22.3 %
Schistosoma japonicum IPR001254,Peptidase S1 and S6, chymotrypsin/Hap;IPR009003,Peptidase, trypsin-like serine and cysteine,domain-containing Trypsin   231 aa 225 aa 23.1 %
Drosophila melanogaster CG33458 gene product from transcript CG33458-RA Trypsin   231 aa 254 aa 28.4 %
Drosophila melanogaster CG3505 gene product from transcript CG3505-RA Trypsin   231 aa 232 aa 30.6 %
Schistosoma mansoni aminopeptidase PILS (M01 family) Trypsin   231 aa 300 aa 22.3 %
Brugia malayi hypothetical protein Ras converting CAAX endopeptidase 1 225 aa 181 aa 21.6 %
Neospora caninum ELMO/CED-12 family domain-containing protein, putative Trypsin   231 aa 193 aa 22.8 %
Chlamydia trachomatis hypothetical protein ATP-dependent Clp protease proteolytic subunit   197 aa 171 aa 22.8 %
Schistosoma mansoni cercarial elastase (S01 family) Trypsin   231 aa 237 aa 24.1 %
Drosophila melanogaster Jonah 99Ci Trypsin   231 aa 235 aa 31.9 %
Plasmodium yoelii Clp protease ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.6 %
Drosophila melanogaster CG17239 gene product from transcript CG17239-RB Trypsin   231 aa 227 aa 33.5 %
Drosophila melanogaster CG14990 gene product from transcript CG14990-RA Trypsin   231 aa 238 aa 29.4 %
Schistosoma japonicum Enteropeptidase, putative Trypsin   231 aa 262 aa 25.6 %
Drosophila melanogaster CG3916 gene product from transcript CG3916-RA Trypsin   231 aa 245 aa 31.4 %
Echinococcus granulosus transmembrane protease serine 3 Trypsin   231 aa 234 aa 33.8 %
Drosophila melanogaster CG34436 gene product from transcript CG34436-RA Trypsin   231 aa 214 aa 22.0 %
Drosophila melanogaster CG13744 gene product from transcript CG13744-RA Trypsin   231 aa 249 aa 31.3 %
Drosophila melanogaster CG30288 gene product from transcript CG30288-RC Trypsin   231 aa 245 aa 29.0 %
Drosophila melanogaster CG10405 gene product from transcript CG10405-RB Trypsin   231 aa 242 aa 31.8 %
Drosophila melanogaster Jonah 65Aii Trypsin   231 aa 235 aa 35.3 %
Schistosoma japonicum Transmembrane protease, serine 9, putative Trypsin   231 aa 246 aa 21.1 %
Drosophila melanogaster CG11313 gene product from transcript CG11313-RC Trypsin   231 aa 255 aa 31.8 %
Echinococcus multilocularis transmembrane protease serine 3 Trypsin   231 aa 233 aa 33.0 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Schistosoma japonicum ko:K09637 transmembrane protease, serine 6, putative Trypsin   231 aa 242 aa 28.9 %
Schistosoma mansoni cercarial elastase (S01 family) Trypsin   231 aa 235 aa 25.5 %
Drosophila melanogaster CG30083 gene product from transcript CG30083-RB Trypsin   231 aa 209 aa 29.7 %
Drosophila melanogaster CG4914 gene product from transcript CG4914-RA Trypsin   231 aa 245 aa 38.8 %
Drosophila melanogaster CG31326 gene product from transcript CG31326-RA Trypsin   231 aa 249 aa 24.1 %
Schistosoma japonicum ko:K01346 pancreatic elastase II [EC3.4.21.71], putative Trypsin   231 aa 303 aa 24.1 %
Echinococcus granulosus enteropeptidase Trypsin   231 aa 230 aa 28.3 %
Drosophila melanogaster CG6582 gene product from transcript CG6582-RA Trypsin   231 aa 187 aa 23.5 %
Echinococcus granulosus Mastin Trypsin   231 aa 306 aa 23.9 %
Drosophila melanogaster CG31220 gene product from transcript CG31220-RB Trypsin   231 aa 263 aa 27.8 %
Drosophila melanogaster CG9733 gene product from transcript CG9733-RB Trypsin   231 aa 262 aa 31.3 %
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 ATP-dependent Clp protease proteolytic subunit   197 aa 172 aa 57.0 %
Drosophila melanogaster CG31267 gene product from transcript CG31267-RA Trypsin   231 aa 233 aa 32.2 %
Echinococcus granulosus glycoprotein Antigen 5 Trypsin   231 aa 301 aa 23.9 %
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) Trypsin   231 aa 247 aa 35.2 %
Trypanosoma cruzi hypothetical protein, conserved Trypsin   231 aa 188 aa 23.9 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Onchocerca volvulus Trypsin   231 aa 212 aa 21.2 %
Drosophila melanogaster CG4815 gene product from transcript CG4815-RA Trypsin   231 aa 212 aa 27.4 %
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 36.0 %
Drosophila melanogaster Spatzle-Processing Enzyme Trypsin   231 aa 271 aa 29.1 %
Schistosoma japonicum Cercarial protease precursor (EC 3.4.21.-) (Cercarial elastase), putative Trypsin   231 aa 204 aa 25.0 %
Drosophila melanogaster Jonah 65Aiii Trypsin   231 aa 241 aa 34.0 %
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) Trypsin   231 aa 286 aa 25.2 %
Drosophila melanogaster CG30323 gene product from transcript CG30323-RB Trypsin   231 aa 210 aa 23.3 %
Schistosoma mansoni neuropeptide receptor ATP-dependent Clp protease proteolytic subunit   197 aa 174 aa 20.1 %
Drosophila melanogaster CG18420 gene product from transcript CG18420-RA Trypsin   231 aa 239 aa 28.4 %
Echinococcus multilocularis Mastin Trypsin   231 aa 306 aa 24.2 %
Onchocerca volvulus Trypsin   231 aa 251 aa 22.7 %
Onchocerca volvulus Putative V-type proton ATPase subunit F ATP-dependent Clp protease proteolytic subunit   197 aa 194 aa 54.1 %
Drosophila melanogaster CG9997 gene product from transcript CG9997-RB Trypsin   231 aa 194 aa 23.2 %
Schistosoma mansoni cercarial elastase (S01 family) Trypsin   231 aa 201 aa 22.9 %
Schistosoma mansoni cercarial elastase (S01 family) Trypsin   231 aa 235 aa 25.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Possible lysophospholipase 0.1085 0.7265 1
Mycobacterium ulcerans hypothetical protein 0.0064 0.0302 0.0387
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0074 0.0072
Loa Loa (eye worm) hypothetical protein 0.0111 0.062 0.0551
Plasmodium falciparum lysophospholipase, putative 0.1085 0.7265 1
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0179 0.1088 1
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0111 0.062 0.0457
Schistosoma mansoni fatty-acid amide hydrolase 0.1486 1 1
Mycobacterium ulcerans aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0179 0.1088 0.1473
Brugia malayi MGC83647 protein 0.0064 0.0302 0.0302
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0094 0.051 0.0674
Toxoplasma gondii hypothetical protein 0.0064 0.0302 0.5745
Loa Loa (eye worm) hypothetical protein 0.0114 0.0642 0.0573
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0114 0.0642 0.035
Loa Loa (eye worm) hypothetical protein 0.1486 1 1
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0111 0.062 0.076
Plasmodium falciparum alpha/beta hydrolase fold domain containing protein, putative 0.0064 0.0302 0.0387
Mycobacterium ulcerans amidase 0.0179 0.1088 0.1473
Mycobacterium ulcerans amidase 0.0179 0.1088 0.1473
Toxoplasma gondii peptidase S15, putative 0.0064 0.0302 0.5745
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0179 0.1088 1
Plasmodium vivax unspecified product 0.0064 0.0302 0.0387
Loa Loa (eye worm) amidase 0.0179 0.1088 0.1022
Trypanosoma cruzi monoglyceride lipase, putative 0.1085 0.7265 1
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0064 0.0302 0.0387
Chlamydia trachomatis hydrolase 0.0064 0.0302 0.2629
Mycobacterium ulcerans hypothetical protein 0.1085 0.7265 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.1085 0.7265 1
Plasmodium vivax PST-A protein 0.0064 0.0302 0.0387
Echinococcus multilocularis abhydrolase domain containing 3 0.0064 0.0302 0.0015
Trypanosoma cruzi Alpha/beta hydrolase family, putative 0.0064 0.0302 0.0318
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0111 0.062 0.076
Toxoplasma gondii phospholipase/carboxylesterase 0.0064 0.0302 0.5745
Toxoplasma gondii hypothetical protein 0.0064 0.0302 0.5745
Plasmodium falciparum exported lipase 2 0.0064 0.0302 0.0387
Brugia malayi Protein C20orf22 0.0064 0.0302 0.0302
Plasmodium falciparum lysophospholipase, putative 0.0064 0.0302 0.0387
Plasmodium falciparum esterase, putative 0.1085 0.7265 1
Loa Loa (eye worm) hypothetical protein 0.0094 0.051 0.044
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0033 0.0088 0.0091
Loa Loa (eye worm) amidase 0.0179 0.1088 0.1022
Mycobacterium tuberculosis Possible amidase (aminohydrolase) 0.0179 0.1088 0.1473
Loa Loa (eye worm) hypothetical protein 0.0064 0.0302 0.023
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.1085 0.7265 1
Giardia lamblia Hypothetical protein 0.0111 0.062 1
Echinococcus granulosus Phospholipase carboxylesterase 0.0064 0.0302 0.0015
Trypanosoma cruzi Alpha/beta hydrolase family, putative 0.0064 0.0302 0.0318
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.1085 0.7265 1
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0179 0.1088 0.0824
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.3673 0.3486
Trichomonas vaginalis valacyclovir hydrolase, putative 0.1085 0.7265 1
Brugia malayi CAAX amino terminal protease family protein 0.0111 0.062 0.062
Toxoplasma gondii hypothetical protein 0.0064 0.0302 0.5745
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.3673 0.3486
Entamoeba histolytica hypothetical protein 0.0064 0.0302 0.0387
Echinococcus multilocularis fatty acid amide hydrolase 1 0.1486 1 1
Plasmodium vivax hypothetical protein, conserved 0.0064 0.0302 0.0387
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.051 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0179 0.1088 0.0824
Schistosoma mansoni fatty-acid amide hydrolase 0.0179 0.1088 0.0811
Mycobacterium ulcerans amidase 0.0179 0.1088 0.1473
Echinococcus granulosus monoacylglycerol lipase abhd12 0.0064 0.0302 0.0015
Echinococcus granulosus fatty acid amide hydrolase 1 0.1486 1 1
Trypanosoma brucei fatty-acid amide hydrolase, putative 0.0179 0.1088 0.1411
Trichomonas vaginalis conserved hypothetical protein 0.1085 0.7265 1
Plasmodium falciparum alpha/beta hydrolase, putative 0.0064 0.0302 0.0387
Mycobacterium ulcerans amidase 0.0179 0.1088 0.1473
Plasmodium vivax hypothetical protein, conserved 0.0064 0.0302 0.0387
Echinococcus granulosus abhydrolase domain containing 3 0.0064 0.0302 0.0015
Echinococcus granulosus fatty acid amide hydrolase 1 0.1486 1 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.0302 0.023
Brugia malayi hypothetical protein 0.003 0.0074 0.0074
Trichomonas vaginalis conserved hypothetical protein 0.1085 0.7265 1
Trypanosoma brucei Alpha/beta hydrolase family, putative 0.0064 0.0302 0.0318
Schistosoma mansoni peptidase Clp (S14 family) 0.0094 0.051 0.0214
Toxoplasma gondii hydrolase, alpha/beta fold family protein 0.0064 0.0302 0.5745
Mycobacterium tuberculosis Probable amidase AmiC (aminohydrolase) 0.0179 0.1088 0.1473
Echinococcus granulosus abhydrolase domain containing protein 13 0.0064 0.0302 0.0015
Plasmodium falciparum epoxide hydrolase 2 0.0064 0.0302 0.0387
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0074 0.0072
Entamoeba histolytica hypothetical protein 0.0064 0.0302 0.0387
Brugia malayi MGC79044 protein 0.0064 0.0302 0.0302
Toxoplasma gondii hypothetical protein 0.0064 0.0302 0.5745
Leishmania major hypothetical protein, conserved 0.0064 0.0302 0.0318
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0094 0.051 0.0228
Trypanosoma cruzi Serine peptidase, Clan SC, Family S09X, putative 0.0064 0.0302 0.0318
Trypanosoma brucei Alpha/beta hydrolase family, putative 0.0064 0.0302 0.0318
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.051 0.4577
Echinococcus multilocularis CAAX prenyl protease 2 0.0111 0.062 0.0342
Onchocerca volvulus 0.0114 0.0642 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.1486 1 1
Schistosoma mansoni glutamyl-tRNA(Gln) amidotransferase subunit A 0.0179 0.1088 0.0811
Mycobacterium leprae PROBABLE AMIDASE AMIC (AMINOHYDROLASE) 0.0179 0.1088 0.1394
Echinococcus granulosus CAAX prenyl protease 2 0.0111 0.062 0.0342
Plasmodium falciparum BEM46-like protein, putative 0.0064 0.0302 0.0387
Trypanosoma cruzi hydrolase, alpha/beta fold family, putative 0.0064 0.0302 0.0318
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0114 0.0642 0.035
Plasmodium falciparum alpha/beta hydrolase, putative 0.0064 0.0302 0.0387
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0094 0.051 0.4577
Mycobacterium ulcerans lysophospholipase 0.1085 0.7265 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.051 0.0674
Plasmodium vivax PST-A protein 0.0064 0.0302 0.0387
Loa Loa (eye worm) hypothetical protein 0.0114 0.0642 0.0573
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0094 0.051 0.0588
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.051 0.4577
Plasmodium falciparum lysophospholipase, putative 0.1085 0.7265 1
Entamoeba histolytica CAAX prenyl protease family 0.0111 0.062 0.0827
Echinococcus multilocularis monoacylglycerol lipase abhd12 0.0064 0.0302 0.0015
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.1085 0.7265 1
Plasmodium falciparum alpha/beta hydrolase, putative 0.0064 0.0302 0.0387
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0111 0.062 0.0328
Mycobacterium leprae PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A) 0.0179 0.1088 0.1394
Brugia malayi Amidase family protein 0.0179 0.1088 0.1088
Echinococcus granulosus neuropeptide s receptor 0.0558 0.3673 0.3486
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.1085 0.7265 1
Plasmodium vivax PST-A protein 0.0064 0.0302 0.0387
Plasmodium falciparum alpha/beta hydrolase, putative 0.0064 0.0302 0.0387
Mycobacterium ulcerans amidase 0.0179 0.1088 0.1473
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0179 0.1088 1
Plasmodium vivax alpha/beta hydrolase, putative 0.0064 0.0302 0.0387
Leishmania major monoglyceride lipase, putative 0.1085 0.7265 1
Trypanosoma brucei CAAX amino terminal protease, putative 0.0111 0.062 0.076
Toxoplasma gondii hydrolase, alpha/beta fold family protein 0.0064 0.0302 0.5745
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.3673 0.3486
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.051 0.0674
Brugia malayi Amidase family protein 0.0179 0.1088 0.1088
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0062 0.0288 0.0279
Mycobacterium ulcerans peptide amidase, GatA 0.0179 0.1088 0.1473
Plasmodium vivax hypothetical protein, conserved 0.0064 0.0302 0.0387
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0033 0.0088 0.062
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.051 1
Plasmodium falciparum alpha/beta-hydrolase, putative 0.0064 0.0302 0.0387
Plasmodium falciparum esterase, putative 0.0064 0.0302 0.0387
Leishmania major hypothetical protein, conserved 0.0064 0.0302 0.0318
Plasmodium vivax lysophospholipase, putative 0.0064 0.0302 0.0387
Echinococcus multilocularis Phospholipase carboxylesterase 0.0064 0.0302 0.0015
Mycobacterium ulcerans hypothetical protein 0.0064 0.0302 0.0387
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0094 0.051 0.0674
Trypanosoma brucei monoglyceride lipase, putative 0.1085 0.7265 1
Trypanosoma brucei Serine peptidase, Clan SC, Family S09X 0.0064 0.0302 0.0318
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0094 0.051 0.0228
Plasmodium vivax unspecified product 0.0064 0.0302 0.0387
Entamoeba histolytica ;Alias 0.0064 0.0302 0.0387
Toxoplasma gondii hypothetical protein 0.0033 0.0088 0.1355
Plasmodium vivax PST-A protein 0.0064 0.0302 0.0387
Brugia malayi Probable ClpP-like protease 0.0094 0.051 0.051
Plasmodium vivax lysophospholipase, putative 0.0064 0.0302 0.0387
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0062 0.0288 0.0368
Brugia malayi Trypsin family protein 0.0114 0.0642 0.0642
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.1085 0.7265 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0062 0.0288 0.0368
Mycobacterium tuberculosis Conserved hypothetical protein 0.0064 0.0302 0.0387
Plasmodium falciparum exported lipase 1 0.0064 0.0302 0.0387
Schistosoma mansoni amidase 0.1486 1 1
Plasmodium vivax alpha/beta hydrolase, putative 0.0064 0.0302 0.0387
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0179 0.1088 0.0824
Trypanosoma brucei monoglyceride lipase, putative 0.1085 0.7265 1
Mycobacterium ulcerans hydrolase 0.0064 0.0302 0.0387
Trypanosoma cruzi serine peptidase, putative 0.0064 0.0302 0.0318
Toxoplasma gondii phospholipase 0.0064 0.0302 0.5745
Loa Loa (eye worm) hypothetical protein 0.0064 0.0302 0.023
Plasmodium vivax PST-A protein 0.1085 0.7265 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0033 0.0088 0.0091
Mycobacterium tuberculosis Probable amidase AmiB2 (aminohydrolase) 0.0179 0.1088 0.1473
Loa Loa (eye worm) hypothetical protein 0.0064 0.0302 0.023
Trypanosoma cruzi serine peptidase, putative 0.0064 0.0302 0.0318
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0111 0.062 0.0328
Plasmodium vivax glutamyl-tRNA(Gln) amidotransferase subunit A, putative 0.0179 0.1088 0.1473
Trypanosoma cruzi amidase, putative 0.0179 0.1088 0.1411
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0111 0.062 0.076
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.1085 0.7265 1
Trypanosoma cruzi Alpha/beta hydrolase family, putative 0.0064 0.0302 0.0318
Echinococcus granulosus fatty acid amide hydrolase 1 0.0179 0.1088 0.0824
Toxoplasma gondii protein c14orf29, putative 0.0064 0.0302 0.5745
Loa Loa (eye worm) hypothetical protein 0.0064 0.0302 0.023
Plasmodium falciparum esterase, putative 0.0064 0.0302 0.0387
Leishmania major hypothetical protein, conserved 0.0179 0.1088 0.1411
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0074 0.0072
Plasmodium falciparum alpha/beta hydrolase, putative 0.0064 0.0302 0.0387
Plasmodium vivax lysophospholipase, putative 0.0064 0.0302 0.0387
Plasmodium falciparum lysophospholipase, putative 0.1085 0.7265 1
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.1085 0.7265 1
Plasmodium falciparum prodrug activation and resistance esterase 0.0064 0.0302 0.0387
Plasmodium falciparum glutamyl-tRNA(Gln) amidotransferase subunit A 0.0179 0.1088 0.1473
Plasmodium falciparum lysophospholipase, putative 0.0064 0.0302 0.0387
Mycobacterium tuberculosis Probable amidase AmiA2 (aminohydrolase) 0.0179 0.1088 0.1473
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0074 0.1062
Brugia malayi putative amidase 0.0179 0.1088 0.1088
Plasmodium vivax PST-A protein 0.0064 0.0302 0.0387
Chlamydia trachomatis acyltransferase family protein 0.0064 0.0302 0.2629
Trypanosoma cruzi amidase, putative 0.0179 0.1088 0.1411
Mycobacterium tuberculosis Probable amidase AmiD (acylamidase) (acylase) 0.0179 0.1088 0.1473
Leishmania major Bem46-like serine peptidase,Serine peptidase, Clan SC, Family S09X 0.0064 0.0302 0.0318
Toxoplasma gondii esterase/lipase/thioesterase domain-containing protein 0.0064 0.0302 0.5745

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) = 4.672 uM PUBCHEM_BIOASSAY: Trypsin Inhibition Assay Measured in Biochemical System Using Plate Reader - 2034-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2618] ChEMBL. No reference
AC50 (binding) = 5.21 uM PUBCHEM_BIOASSAY: Human Ras-Converting Enzyme Inhibition Assay Measured in Biochemical System Using Plate Reader - 2034-04_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2618] ChEMBL. No reference
Potency (functional) 6.5733 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) 10 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 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) 20.5962 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 23.7558 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) = 28.1838 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 29.081 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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) = 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) 44.6684 uM PUBCHEM_BIOASSAY: qHTS for Inducers of the Endoplasmic Reticulum Stress Response (ERSR) in Human Glioma: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) = 79.4328 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 79.4328 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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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