Detailed information for compound 1335939

Basic information

Technical information
  • TDR Targets ID: 1335939
  • Name: 8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-3 -(2-methoxyphenyl)chromen-4-one
  • MW: 394.464 | Formula: C23H26N2O4
  • H donors: 1 H acceptors: 2 LogP: 2.81 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN1CCN(CC1)Cc1c(O)ccc2c1occ(c2=O)c1ccccc1OC
  • InChi: 1S/C23H26N2O4/c1-3-24-10-12-25(13-11-24)14-18-20(26)9-8-17-22(27)19(15-29-23(17)18)16-6-4-5-7-21(16)28-2/h4-9,15,26H,3,10-14H2,1-2H3
  • InChiKey: HNJGSVLTNYDANM-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

  • 8-[(4-ethyl-1-piperazinyl)methyl]-7-hydroxy-3-(2-methoxyphenyl)-4-chromenone
  • 8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-3-(2-methoxyphenyl)chromone
  • Oprea1_876650
  • BAS 02169171
  • 8-(4-Ethyl-piperazin-1-ylmethyl)-7-hydroxy-3-(2-methoxy-phenyl)-chromen-4-one
  • MLS000027066
  • Oprea1_576942
  • STOCK1N-26484
  • SMR000011112

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens Ras converting CAAX endopeptidase 1 Starlite/ChEMBL No references
Sus scrofa Trypsin Starlite/ChEMBL No references
Homo sapiens hydroxysteroid (17-beta) dehydrogenase 10 Starlite/ChEMBL No references
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Babesia bovis ATP-dependent Clp protease proteolytic subunit 1, 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
Leishmania braziliensis 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Candida albicans ras and a-factor terminal proteolysis 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
Plasmodium yoelii ATP-dependent Clp protease, proteolytic subunit ClpP, 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
Entamoeba histolytica CAAX prenyl protease 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
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 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
Leishmania mexicana CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) Get druggable targets OG5_129169 All targets in OG5_129169
Brugia malayi Trypsin family protein Get druggable targets OG5_126639 All targets in OG5_126639
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma japonicum expressed protein 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
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus peptidase Clp S14 family Get druggable targets OG5_127187 All targets in OG5_127187
Trypanosoma brucei CAAX amino terminal protease, putative Get druggable targets OG5_129169 All targets in OG5_129169
Schistosoma japonicum ko:K09639 transmembrane protease, serine 8, putative Get druggable targets OG5_126639 All targets in OG5_126639
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
Schistosoma mansoni peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Trypanosoma cruzi CAAX prenyl protease 2, putative Get druggable targets OG5_129169 All targets in OG5_129169
Schistosoma mansoni family U48 unassigned peptidase (U48 family) Get druggable targets OG5_129169 All targets in OG5_129169
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126639 All targets in OG5_126639
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative 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
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus granulosus CAAX prenyl protease 2 Get druggable targets OG5_129169 All targets in OG5_129169
Giardia lamblia Hypothetical protein Get druggable targets OG5_129169 All targets in OG5_129169
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:K08658 prenyl protein peptidase, putative Get druggable targets OG5_129169 All targets in OG5_129169
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Leishmania donovani CAAX prenyl protease 2, putative Get druggable targets OG5_129169 All targets in OG5_129169
Leishmania infantum CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) Get druggable targets OG5_129169 All targets in OG5_129169
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 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
Brugia malayi Probable ClpP-like protease Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein 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 japonicum ko:K00022 3-hydroxyacyl-CoA dehydrogenase [EC1.1.1.35], putative Get druggable targets OG5_129031 All targets in OG5_129031
Cryptosporidium parvum scully CG7113-PA, putative Get druggable targets OG5_129031 All targets in OG5_129031
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129169 All targets in OG5_129169
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 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
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Leishmania braziliensis CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) Get druggable targets OG5_129169 All targets in OG5_129169
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania donovani 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 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
Schistosoma japonicum ko:K09639 transmembrane protease, serine 8, putative Get druggable targets OG5_126639 All targets in OG5_126639
Leishmania infantum 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus multilocularis peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Onchocerca volvulus Get druggable targets OG5_126639 All targets in OG5_126639
Leishmania mexicana 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 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
Brugia malayi CAAX amino terminal protease family protein Get druggable targets OG5_129169 All targets in OG5_129169
Cryptosporidium hominis scully CG7113-PA Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus multilocularis CAAX prenyl protease 2 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
Onchocerca volvulus Get druggable targets OG5_126639 All targets in OG5_126639
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni cercarial elastase (S01 family) Trypsin   231 aa 237 aa 24.1 %
Drosophila melanogaster CG9997 gene product from transcript CG9997-RB Trypsin   231 aa 194 aa 23.2 %
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 CG10405 gene product from transcript CG10405-RB Trypsin   231 aa 242 aa 31.8 %
Echinococcus granulosus Mastin Trypsin   231 aa 306 aa 23.9 %
Schistosoma japonicum Enteropeptidase, putative Trypsin   231 aa 262 aa 25.6 %
Schistosoma japonicum Transmembrane protease, serine 9, putative Trypsin   231 aa 246 aa 21.1 %
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase hydroxysteroid (17-beta) dehydrogenase 10 252 aa 251 aa 24.7 %
Drosophila melanogaster CG11313 gene product from transcript CG11313-RC Trypsin   231 aa 255 aa 31.8 %
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 CG30288 gene product from transcript CG30288-RC Trypsin   231 aa 245 aa 29.0 %
Schistosoma mansoni neuropeptide receptor ATP-dependent Clp protease proteolytic subunit   197 aa 174 aa 20.1 %
Neospora caninum ELMO/CED-12 family domain-containing protein, putative Trypsin   231 aa 193 aa 22.8 %
Drosophila melanogaster CG33458 gene product from transcript CG33458-RA Trypsin   231 aa 254 aa 28.4 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Drosophila melanogaster Jonah 66Ci Trypsin   231 aa 234 aa 32.9 %
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 ATP-dependent Clp protease proteolytic subunit   197 aa 172 aa 57.0 %
Drosophila melanogaster CG18180 gene product from transcript CG18180-RA Trypsin   231 aa 233 aa 27.9 %
Plasmodium yoelii Clp protease ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.6 %
Drosophila melanogaster Spatzle-Processing Enzyme Trypsin   231 aa 271 aa 29.1 %
Echinococcus multilocularis glycoprotein Antigen 5 Trypsin   231 aa 301 aa 22.3 %
Echinococcus granulosus enteropeptidase Trypsin   231 aa 230 aa 28.3 %
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 180 aa 36.7 %
Drosophila melanogaster CG13744 gene product from transcript CG13744-RA Trypsin   231 aa 249 aa 31.3 %
Drosophila melanogaster CG4815 gene product from transcript CG4815-RA Trypsin   231 aa 212 aa 27.4 %
Drosophila melanogaster CG6582 gene product from transcript CG6582-RA Trypsin   231 aa 187 aa 23.5 %
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 %
Drosophila melanogaster CG31220 gene product from transcript CG31220-RB Trypsin   231 aa 263 aa 27.8 %
Onchocerca volvulus Trypsin   231 aa 212 aa 21.2 %
Drosophila melanogaster CG3916 gene product from transcript CG3916-RA Trypsin   231 aa 245 aa 31.4 %
Drosophila melanogaster CG32277 gene product from transcript CG32277-RA Trypsin   231 aa 221 aa 33.5 %
Echinococcus granulosus glycoprotein Antigen 5 Trypsin   231 aa 301 aa 23.9 %
Drosophila melanogaster CG34436 gene product from transcript CG34436-RA Trypsin   231 aa 214 aa 22.0 %
Drosophila melanogaster CG33465 gene product from transcript CG33465-RC Trypsin   231 aa 225 aa 21.8 %
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 36.0 %
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 235 aa 25.5 %
Echinococcus multilocularis enteropeptidase Trypsin   231 aa 230 aa 27.8 %
Drosophila melanogaster CG14990 gene product from transcript CG14990-RA Trypsin   231 aa 238 aa 29.4 %
Schistosoma japonicum ko:K01346 pancreatic elastase II [EC3.4.21.71], putative Trypsin   231 aa 303 aa 24.1 %
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) Trypsin   231 aa 302 aa 24.8 %
Treponema pallidum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 186 aa 40.3 %
Drosophila melanogaster CG9733 gene product from transcript CG9733-RB Trypsin   231 aa 262 aa 31.3 %
Onchocerca volvulus Trypsin   231 aa 251 aa 22.7 %
Echinococcus multilocularis Mastin Trypsin   231 aa 306 aa 24.2 %
Drosophila melanogaster Jonah 99Ci Trypsin   231 aa 235 aa 31.9 %
Echinococcus granulosus transmembrane protease serine 3 Trypsin   231 aa 234 aa 33.8 %
Drosophila melanogaster CG9673 gene product from transcript CG9673-RB Trypsin   231 aa 239 aa 27.6 %
Trypanosoma cruzi hypothetical protein, conserved Trypsin   231 aa 188 aa 23.9 %
Schistosoma mansoni cercarial elastase (S01 family) Trypsin   231 aa 235 aa 25.5 %
Brugia malayi hypothetical protein Ras converting CAAX endopeptidase 1 225 aa 181 aa 21.6 %
Drosophila melanogaster CG18420 gene product from transcript CG18420-RA Trypsin   231 aa 239 aa 28.4 %
Drosophila melanogaster Jonah 65Aii Trypsin   231 aa 235 aa 35.3 %
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family Trypsin   231 aa 286 aa 24.8 %
Echinococcus multilocularis transmembrane protease serine 3 Trypsin   231 aa 233 aa 33.0 %
Drosophila melanogaster CG17239 gene product from transcript CG17239-RB Trypsin   231 aa 227 aa 33.5 %
Drosophila melanogaster Jonah 65Aiii Trypsin   231 aa 241 aa 34.0 %
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) Trypsin   231 aa 247 aa 35.2 %
Loa Loa (eye worm) hypothetical protein Trypsin   231 aa 238 aa 21.4 %
Schistosoma mansoni aminopeptidase PILS (M01 family) Trypsin   231 aa 300 aa 22.3 %
Onchocerca volvulus Putative V-type proton ATPase subunit F ATP-dependent Clp protease proteolytic subunit   197 aa 194 aa 54.1 %
Drosophila melanogaster CG31326 gene product from transcript CG31326-RA Trypsin   231 aa 249 aa 24.1 %
Drosophila melanogaster CG30287 gene product from transcript CG30287-RA Trypsin   231 aa 249 aa 27.7 %
Schistosoma mansoni cercarial elastase (S01 family) Trypsin   231 aa 201 aa 22.9 %
Schistosoma japonicum Cercarial protease precursor (EC 3.4.21.-) (Cercarial elastase), putative Trypsin   231 aa 204 aa 25.0 %
Drosophila melanogaster CG30323 gene product from transcript CG30323-RB Trypsin   231 aa 210 aa 23.3 %
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) Trypsin   231 aa 286 aa 25.2 %
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.1 %
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 35.5 %
Drosophila melanogaster CG31267 gene product from transcript CG31267-RA Trypsin   231 aa 233 aa 32.2 %
Drosophila melanogaster CG3505 gene product from transcript CG3505-RA Trypsin   231 aa 232 aa 30.6 %
Drosophila melanogaster CG5909 gene product from transcript CG5909-RA Trypsin   231 aa 256 aa 28.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) CK1/CK1/CK1-A protein kinase 0.0351 1 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.1125 1
Leishmania major CAAX prenyl protease 1, putative,metallo-peptidase, Clan M-, Family M48 0.0082 0.0693 0.045
Entamoeba histolytica CAAX prenyl protease family 0.0111 0.1685 0.1066
Schistosoma mansoni serine/threonine protein kinase 0.028 0.7545 0.7481
Loa Loa (eye worm) peptidase family M48 containing protein 0.0082 0.0693 0.0605
Giardia lamblia Kinase, CK1 Casein kinase 0.0351 1 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0094 0.1125 0.5
Trypanosoma cruzi casein kinase, delta isoform, putative 0.0351 1 1
Entamoeba histolytica protein kinase, putative 0.0116 0.1879 0.1274
Trichomonas vaginalis CK1 family protein kinase 0.0351 1 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0114 0.1794 0.1579
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.1125 0.5
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0111 0.1685 0.1066
Plasmodium falciparum glycogen synthase kinase 3 0.0116 0.1879 0.085
Echinococcus multilocularis casein kinase I delta 0.0351 1 1
Trichomonas vaginalis CK1 family protein kinase 0.0351 1 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0094 0.1125 0.5
Trypanosoma brucei casein kinase I, isoform 2 0.0351 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0351 1 1
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0116 0.1879 0.1802
Giardia lamblia Kinase, CMGC GSK 0.0116 0.1879 0.0233
Echinococcus multilocularis casein kinase I gamma 0.028 0.7545 0.7545
Echinococcus granulosus casein kinase I alpha 0.0351 1 1
Plasmodium vivax glycogen synthase kinase 3, putative 0.0116 0.1879 0.085
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0094 0.1125 1
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0116 0.1879 0.1667
Loa Loa (eye worm) hypothetical protein 0.0114 0.1794 0.1716
Trypanosoma cruzi casein kinase, putative 0.0351 1 1
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0111 0.1685 0.1468
Onchocerca volvulus 0.0345 0.9769 0.9727
Loa Loa (eye worm) hypothetical protein 0.0111 0.1685 0.1607
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.1125 0.0464
Echinococcus multilocularis casein kinase I alpha 0.0351 1 1
Echinococcus multilocularis caax prenyl protease 1 0.0082 0.0693 0.0693
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0116 0.1879 0.1667
Brugia malayi intracellular kinase 0.0116 0.1879 0.1667
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0111 0.1685 0.1066
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.1125 0.0464
Echinococcus granulosus casein kinase I alpha 0.0351 1 1
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0116 0.1879 0.1879
Echinococcus multilocularis CAAX prenyl protease 2 0.0111 0.1685 0.1685
Giardia lamblia Kinase, CMGC GSK 0.0116 0.1879 0.0233
Trichomonas vaginalis CMGC family protein kinase 0.0116 0.1879 0.1274
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.0255 0.0255
Echinococcus multilocularis casein kinase I delta 0.0351 1 1
Leishmania major casein kinase, putative 0.0351 1 1
Loa Loa (eye worm) protein kinase domain-containing protein 0.028 0.7545 0.7522
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0114 0.1794 0.1579
Trichomonas vaginalis CK1 family protein kinase 0.0351 1 1
Loa Loa (eye worm) hypothetical protein 0.0114 0.1794 0.1716
Echinococcus granulosus casein kinase i 0.0351 1 1
Entamoeba histolytica protein kinase domain containing protein 0.0116 0.1879 0.1274
Trypanosoma brucei CAAX amino terminal protease, putative 0.0111 0.1685 0.1066
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0111 0.1685 0.1468
Trypanosoma cruzi casein kinase, putative 0.0351 1 1
Plasmodium falciparum casein kinase 1 0.0351 1 1
Brugia malayi CAAX amino terminal protease family protein 0.0111 0.1685 0.1468
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.1125 0.5
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0116 0.1879 0.1274
Trichomonas vaginalis CMGC family protein kinase 0.0116 0.1879 0.1274
Trypanosoma cruzi casein kinase, delta isoform, putative 0.0345 0.9769 0.9752
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0111 0.1685 0.1468
Echinococcus granulosus casein kinase I delta 0.0351 1 1
Trypanosoma cruzi casein kinase, putative 0.0351 1 1
Trypanosoma cruzi casein kinase, putative 0.0351 1 1
Brugia malayi Probable ClpP-like protease 0.0094 0.1125 0.0892
Loa Loa (eye worm) casein kinase 0.0273 0.7314 0.7288
Entamoeba histolytica casein kinase 1, putative 0.0351 1 1
Echinococcus multilocularis protein kinase shaggy 0.0116 0.1879 0.1879
Onchocerca volvulus 0.0116 0.1879 0.0404
Loa Loa (eye worm) CK1/CK1/CK1-D protein kinase 0.0351 1 1
Schistosoma mansoni farnesylated-protein converting enzyme 1 (M48 family) 0.0082 0.0693 0.045
Schistosoma mansoni protein kinase 0.0351 1 1
Trypanosoma cruzi casein kinase, putative 0.0351 1 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0069 0.0255 1
Echinococcus granulosus casein kinase I gamma 0.028 0.7545 0.7545
Echinococcus granulosus protein kinase shaggy 0.0116 0.1879 0.1879
Onchocerca volvulus 0.0351 1 1
Brugia malayi casein kinase I 0.0351 1 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0094 0.1125 0.0892
Echinococcus multilocularis casein kinase I alpha 0.0351 1 1
Entamoeba histolytica protein kinase domain containing protein 0.0116 0.1879 0.1274
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.1125 1
Echinococcus granulosus casein kinase I delta 0.0351 1 1
Echinococcus multilocularis casein kinase i 0.0351 1 1
Plasmodium vivax casein kinase 1, putative 0.0351 1 1
Echinococcus multilocularis casein kinase I alpha 0.0351 1 1
Trypanosoma brucei protein kinase, putative 0.0116 0.1879 0.1274
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0111 0.1685 0.1066
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0116 0.1879 0.1879
Brugia malayi Trypsin family protein 0.0114 0.1794 0.1579
Echinococcus granulosus CAAX prenyl protease 2 0.0111 0.1685 0.1685
Loa Loa (eye worm) hypothetical protein 0.0094 0.1125 0.1041
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.0255 0.0255
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0116 0.1879 0.1274
Brugia malayi Peptidase family M48 containing protein 0.0082 0.0693 0.045
Brugia malayi Protein kinase domain containing protein 0.028 0.7545 0.7481
Entamoeba histolytica casein kinase, putative 0.0351 1 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0094 0.1125 0.1125
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0094 0.1125 0.1125
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0116 0.1879 0.1802
Echinococcus granulosus caax prenyl protease 1 0.0082 0.0693 0.0693
Onchocerca volvulus 0.0114 0.1794 0.0303
Loa Loa (eye worm) CK1/CK1/CK1-A protein kinase 0.0351 1 1
Echinococcus granulosus casein kinase I alpha 0.0351 1 1
Toxoplasma gondii casein kinase I 0.0351 1 1

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) = 5.2 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
AC50 (binding) = 16 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
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 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) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (binding) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] 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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