Detailed information for compound 1325809

Basic information

Technical information
  • TDR Targets ID: 1325809
  • Name: N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimet hyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[2,1-b] pyrimidine-4-carboxamide
  • MW: 434.531 | Formula: C25H30N4O3
  • H donors: 1 H acceptors: 3 LogP: 2.62 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN(C(=O)C1(C)CC(=O)N=c2n1c(C)ccc2)c1ccccc1C)NC1CCCC1
  • InChi: 1S/C25H30N4O3/c1-17-9-4-7-13-20(17)28(16-23(31)26-19-11-5-6-12-19)24(32)25(3)15-22(30)27-21-14-8-10-18(2)29(21)25/h4,7-10,13-14,19H,5-6,11-12,15-16H2,1-3H3,(H,26,31)
  • InChiKey: DSBTXKUPZFFXNR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-(cyclopentylamino)-2-oxo-ethyl]-4,6-dimethyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[2,1-b]pyrimidine-4-carboxamide
  • N-[2-(cyclopentylamino)-2-keto-ethyl]-2-keto-4,6-dimethyl-N-(2-methylphenyl)-3H-pyrido[2,1-b]pyrimidine-4-carboxamide
  • ASN 06868239
  • MLS000122193
  • SMR000119543
  • 4,6-Dimethyl-2-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-4-carboxylic acid cyclopentylcarbamoylmethyl-o-tolyl-amide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit Starlite/ChEMBL No references
Homo sapiens galactosidase, alpha Starlite/ChEMBL No references
Homo sapiens sphingomyelin phosphodiesterase 1, acid lysosomal Starlite/ChEMBL No references
Homo sapiens glucosidase, beta, acid Starlite/ChEMBL No references
Human immunodeficiency virus 1 Aberrant vpr protein Starlite/ChEMBL No references
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative Get druggable targets OG5_128629 All targets in OG5_128629
Plasmodium yoelii ATP-dependent Clp protease, proteolytic subunit ClpP, 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
Echinococcus granulosus peptidase Clp S14 family 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
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Brugia malayi Melibiase family protein Get druggable targets OG5_127620 All targets in OG5_127620
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma japonicum expressed protein Get druggable targets OG5_127620 All targets in OG5_127620
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Onchocerca volvulus Glucosylceramidase homolog Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus multilocularis Glycoside hydrolase, family 27 Get druggable targets OG5_127620 All targets in OG5_127620
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127620 All targets in OG5_127620
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Treponema pallidum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum Alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum Alpha-N-acetylgalactosaminidase precursor, putative Get druggable targets OG5_127620 All targets in OG5_127620
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus Alpha N acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 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
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative Get druggable targets OG5_128629 All targets in OG5_128629
Schistosoma mansoni peptidase Clp (S14 family) 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
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Echinococcus multilocularis Alpha N acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
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
Brugia malayi O-Glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
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
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum Alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Neospora caninum hypothetical protein Get druggable targets OG5_127620 All targets in OG5_127620
Babesia bovis ATP-dependent Clp protease proteolytic subunit 1, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 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
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative 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
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
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 mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Toxoplasma gondii melibiase subfamily protein Get druggable targets OG5_127620 All targets in OG5_127620
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma japonicum ko:K01204 alpha-N-acetylgalactosaminidase [EC3.2.1.49], putative Get druggable targets OG5_127620 All targets in OG5_127620
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128629 All targets in OG5_128629
Schistosoma japonicum ko:K06275 parvin, putative 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
Schistosoma japonicum Alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Neospora caninum ATP-dependent Clp protease proteolytic subunit, related 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
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 180 aa 36.7 %
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 36.0 %
Schistosoma mansoni neuropeptide receptor ATP-dependent Clp protease proteolytic subunit   197 aa 174 aa 20.1 %
Chlamydia trachomatis hypothetical protein ATP-dependent Clp protease proteolytic subunit   197 aa 171 aa 22.8 %
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 35.5 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.1 %
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 ATP-dependent Clp protease proteolytic subunit   197 aa 172 aa 57.0 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Plasmodium yoelii Clp protease ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.6 %
Treponema pallidum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 186 aa 40.3 %
Onchocerca volvulus Putative V-type proton ATPase subunit F ATP-dependent Clp protease proteolytic subunit   197 aa 194 aa 54.1 %
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni nuclear hormone receptor 0.0041 0.0242 0.0009
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0291 0.7342 0.7279
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.037 0.0139
Onchocerca volvulus 0.0049 0.0474 0.05
Echinococcus multilocularis acetylcholinesterase 0.0291 0.7342 0.9429
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0082 0.1416 0.1211
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0049 0.0474 0.0246
Schistosoma mansoni peptidase Clp (S14 family) 0.0094 0.1755 0.1558
Echinococcus granulosus snurportin 1 0.0307 0.7773 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.1755 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0195 0.4596 0.939
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.01 0.1905 1
Brugia malayi Carboxylesterase family protein 0.0291 0.7342 0.9248
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.5192 0.643
Echinococcus granulosus neuroligin 0.0049 0.0474 0.0308
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.2585 0.2407
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0041 0.0242 0.0009
Toxoplasma gondii melibiase subfamily protein 0.0124 0.2585 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.037 0.0169
Loa Loa (eye worm) hypothetical protein 0.0049 0.0474 0.0302
Loa Loa (eye worm) hypothetical protein 0.0291 0.7342 0.9248
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.037 0.0139
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.2585 0.2407
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.1755 0.5
Echinococcus multilocularis protein patched 0.0042 0.0277 0.0046
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0094 0.1755 0.2009
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.1061 0.1067
Loa Loa (eye worm) acetylcholinesterase 1 0.0291 0.7342 0.9248
Echinococcus granulosus acetylcholinesterase 0.0291 0.7342 0.9429
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.792 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0102 0.1979 0.2262
Schistosoma mansoni retinoic acid receptor RXR 0.0041 0.0242 0.0009
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.2585 0.2407
Schistosoma mansoni hypothetical protein 0.007 0.1061 0.0847
Brugia malayi CHE-14 protein 0.0042 0.0277 0.0045
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.792 1
Loa Loa (eye worm) hypothetical protein 0.01 0.1905 0.2166
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.4879 0.6022
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0062 0.0833 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.1755 0.6791
Trichomonas vaginalis spcc417.12 protein, putative 0.0049 0.0474 0.0258
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.037 0.0169
Schistosoma mansoni hypothetical protein 0.0179 0.4154 0.4014
Schistosoma mansoni niemann-pick C1 (NPC1) 0.01 0.1916 0.1723
Brugia malayi Calcitonin receptor-like protein seb-1 0.0102 0.1979 0.2262
Brugia malayi Melibiase family protein 0.0082 0.1416 0.1529
Loa Loa (eye worm) hypothetical protein 0.0049 0.0474 0.0302
Echinococcus multilocularis sterol regulatory element binding protein 0.0042 0.0277 0.0046
Brugia malayi Probable ClpP-like protease 0.0094 0.1755 0.197
Loa Loa (eye worm) carboxylesterase 0.0049 0.0474 0.0302
Schistosoma mansoni patched 1 0.0042 0.0277 0.0044
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.037 0.0169
Loa Loa (eye worm) hypothetical protein 0.0049 0.0474 0.0302
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0049 0.0474 0.0246
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0082 0.1416 0.1211
Brugia malayi Niemann-Pick C1 protein precursor 0.0099 0.1873 0.2124
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0041 0.0242 0.0009
Brugia malayi Carboxylesterase family protein 0.0049 0.0474 0.0302
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0124 0.2585 0.311
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0041 0.0242 0.0009
Schistosoma mansoni steroid hormone receptor ad4bp 0.0041 0.0242 0.0009
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0049 0.0474 0.0308
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.4879 0.6022
Echinococcus multilocularis peptidase Clp (S14 family) 0.0062 0.0833 0.0784
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.792 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.037 0.0166
Echinococcus granulosus Niemann Pick C1 protein 0.0141 0.3073 0.3759
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0094 0.1755 1
Echinococcus granulosus peptidase Clp S14 family 0.0062 0.0833 0.0784
Echinococcus multilocularis Niemann Pick C1 protein 0.0141 0.3073 0.3759
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.1755 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0049 0.0474 0.0246
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0094 0.1755 1
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0082 0.1416 0.149
Loa Loa (eye worm) hypothetical protein 0.007 0.1061 0.1067
Schistosoma mansoni hypothetical protein 0.0307 0.7773 0.7719
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.2585 0.2407
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.792 1
Loa Loa (eye worm) hypothetical protein 0.0291 0.7342 0.9248
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0041 0.0242 0.0009
Echinococcus granulosus geminin 0.0179 0.4154 0.5195
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.1755 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.792 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0474 0.0302
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0094 0.1755 0.2009
Schistosoma mansoni coup transcription factor 0.0041 0.0242 0.0009
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0062 0.0833 0.4744
Echinococcus multilocularis para nitrobenzyl esterase 0.0049 0.0474 0.0308
Loa Loa (eye worm) hypothetical protein 0.0102 0.1979 0.2262
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0094 0.1755 1
Echinococcus multilocularis neuroligin 0.0049 0.0474 0.0308
Loa Loa (eye worm) hypothetical protein 0.0195 0.4596 0.5671
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0312 0.792 1
Echinococcus granulosus carboxylesterase 5A 0.0291 0.7342 0.9429
Echinococcus granulosus BC026374 protein S09 family 0.0049 0.0474 0.0308
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.4879 0.6022
Echinococcus multilocularis snurportin 1 0.0307 0.7773 1
Schistosoma mansoni thyroid hormone receptor 0.0041 0.0242 0.0009
Echinococcus multilocularis geminin 0.0179 0.4154 0.5195
Loa Loa (eye worm) hypothetical protein 0.0049 0.0474 0.0302
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0049 0.0474 0.0258
Echinococcus granulosus Protein patched homolog 1 0.0042 0.0277 0.0046
Echinococcus granulosus para nitrobenzyl esterase 0.0049 0.0474 0.0308
Onchocerca volvulus Glucosylceramidase homolog 0.0205 0.4879 1
Echinococcus multilocularis expressed conserved protein 0.0093 0.1703 0.194
Echinococcus multilocularis Niemann Pick C1 protein 0.0099 0.1873 0.2165
Echinococcus granulosus expressed conserved protein 0.0093 0.1703 0.194
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.01 0.1905 1
Schistosoma mansoni neuroligin 3 (S09 family) 0.0049 0.0474 0.0246
Loa Loa (eye worm) hypothetical protein 0.0052 0.0547 0.0397
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0049 0.0474 0.0308
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0062 0.0833 1
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.4879 0.6022
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0042 0.0277 0.0045
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0041 0.0242 0.0009
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.4879 0.6022
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0307 0.7773 0.9808
Onchocerca volvulus 0.0049 0.0474 0.05
Schistosoma mansoni thyroid hormone receptor 0.0041 0.0242 0.0009
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0094 0.1755 0.5
Echinococcus multilocularis carboxylesterase 5A 0.0291 0.7342 0.9429
Brugia malayi Carboxylesterase family protein 0.0291 0.7342 0.9248
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0041 0.0242 0.0009
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0124 0.2585 0.311
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0102 0.1979 0.2262
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.1755 0.6791
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0312 0.792 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.1416 0.1529
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.037 0.0166
Loa Loa (eye worm) carboxylesterase 0.0291 0.7342 0.9248
Loa Loa (eye worm) hypothetical protein 0.0042 0.0277 0.0045
Echinococcus multilocularis BC026374 protein (S09 family) 0.0049 0.0474 0.0308
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.037 0.0139
Schistosoma mansoni BC026374 protein (S09 family) 0.0049 0.0474 0.0246
Schistosoma mansoni gliotactin 0.0049 0.0474 0.0246
Onchocerca volvulus 0.0049 0.0474 0.05
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0124 0.2585 0.311
Brugia malayi ecdysteroid receptor 0.0195 0.4596 0.5671
Echinococcus granulosus acetylcholinesterase 0.0291 0.7342 0.9429
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.792 1
Brugia malayi Carboxylesterase family protein 0.0049 0.0474 0.0302
Onchocerca volvulus 0.0049 0.0474 0.05
Echinococcus multilocularis acetylcholinesterase 0.0291 0.7342 0.9429
Schistosoma mansoni RAR-like nuclear receptor 0.0041 0.0242 0.0009
Loa Loa (eye worm) hypothetical protein 0.0049 0.0474 0.0302
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.4879 0.6022
Schistosoma mansoni hypothetical protein 0.0179 0.4154 0.4014
Schistosoma mansoni acetylcholinesterase 0.0049 0.0474 0.0246
Onchocerca volvulus 0.0049 0.0474 0.05
Brugia malayi Carboxylesterase family protein 0.0049 0.0474 0.0302
Echinococcus granulosus sterol regulatory element binding protein 0.0042 0.0277 0.0046
Brugia malayi Carboxylesterase family protein 0.0049 0.0474 0.0302
Echinococcus granulosus Niemann Pick C1 protein 0.0099 0.1873 0.2165
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0094 0.1755 1
Loa Loa (eye worm) hypothetical protein 0.0099 0.1873 0.2124
Echinococcus multilocularis protein dispatched 1 0.0048 0.0447 0.0271
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.037 0.0169
Loa Loa (eye worm) carboxylesterase 0.0049 0.0474 0.0302
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.5192 0.643
Loa Loa (eye worm) hypothetical protein 0.0049 0.0474 0.0302
Loa Loa (eye worm) hypothetical protein 0.0094 0.1755 0.197
Brugia malayi RNA, U transporter 1 0.0082 0.1394 0.15
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.4879 0.6022
Brugia malayi hypothetical protein 0.0049 0.0474 0.0302

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS Assay for Inhibitors of Human alpha-Galactosidase at pH 4.5. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 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) 17.7828 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 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 (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 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) = 35.4813 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Galactosidase From Spleen Homogenate. (Class of assay: confirmatory) [Related pubchem assays: 1472, 1467 ] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

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

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.