Detailed information for compound 1319511

Basic information

Technical information
  • TDR Targets ID: 1319511
  • Name: 1-[4-acetyl-1-(4-diethylaminophenyl)-2,5-dime thylpyrrol-3-yl]ethanone
  • MW: 326.433 | Formula: C20H26N2O2
  • H donors: 0 H acceptors: 2 LogP: 3.35 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(c1ccc(cc1)n1c(C)c(c(c1C)C(=O)C)C(=O)C)CC
  • InChi: 1S/C20H26N2O2/c1-7-21(8-2)17-9-11-18(12-10-17)22-13(3)19(15(5)23)20(14(22)4)16(6)24/h9-12H,7-8H2,1-6H3
  • InChiKey: SANNZRCUYSBKKT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[4-acetyl-1-(4-diethylaminophenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone
  • 1-[4-acetyl-1-(4-diethylaminophenyl)-2,5-dimethyl-3-pyrrolyl]ethanone
  • 1-[1-(4-diethylaminophenyl)-4-ethanoyl-2,5-dimethyl-pyrrol-3-yl]ethanone
  • A3953/0168403
  • ZINC00502311
  • MLS000079964
  • SMR000039847

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glutaminase Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0017 0.0014 0.005
Echinococcus granulosus ras GTP exchange factor 0.0028 0.0126 0.0452
Loa Loa (eye worm) RasGEF domain-containing protein 0.0028 0.0126 0.0155
Loa Loa (eye worm) hypothetical protein 0.0286 0.2799 0.3428
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 0.2738 0.3354
Trichomonas vaginalis ras GTP exchange factor, putative 0.0028 0.0126 0.0346
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.015 1
Brugia malayi Heterochromatin protein 1 0.0084 0.0708 0.0867
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0324 0.0954
Brugia malayi RasGEF domain containing protein 0.0028 0.0126 0.0155
Schistosoma mansoni dishevelled 0.0039 0.0244 0.0749
Brugia malayi intermediate filament protein 0.0033 0.0172 0.0211
Onchocerca volvulus 0.005 0.0351 0.0414
Brugia malayi chromobox protein homolog 3 0.0047 0.0324 0.0397
Schistosoma mansoni hypothetical protein 0.0017 0.0014 0.0043
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0208 0.0208
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0162 0.1515 1
Onchocerca volvulus 0.0033 0.0172 0.0194
Brugia malayi Hypothetical UPF0028 protein ZK370.4 in chromosome III, putative 0.0017 0.0014 0.0017
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0208 0.0208
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2443 0.2993
Echinococcus multilocularis GPCR, family 2 0.0068 0.0536 0.0536
Echinococcus multilocularis cAMP dependent protein kinase type I beta 0.0017 0.0014 0.0014
Brugia malayi N-terminal motif family protein 0.0028 0.0126 0.0155
Schistosoma mansoni similar to Protein C20orf152 homolog 0.0017 0.0014 0.0043
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.015 0.0571
Loa Loa (eye worm) cAMP-dependent protein kinase regulatory subunit 0.0017 0.0014 0.0017
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0208 0.0745
Brugia malayi Cyclic-nucleotide gated cation channel 0.0017 0.0014 0.0017
Schistosoma mansoni voltage-gated potassium channel 0.0017 0.0014 0.0043
Brugia malayi hypothetical protein 0.0072 0.0578 0.0708
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0017 0.0014 0.0043
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0017 0.0014 0.005
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0247 0.2399 1
Schistosoma mansoni glutaminase 0.033 0.3261 1
Echinococcus multilocularis musashi 0.0033 0.0172 0.0172
Brugia malayi RasGEF domain containing protein 0.0028 0.0126 0.0155
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0324 0.0954
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0172 0.0211
Schistosoma mansoni serine/threonine protein kinase 0.0017 0.0014 0.0043
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0162 0.1515 0.6295
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0361 0.1069
Loa Loa (eye worm) hypothetical protein 0.0068 0.0536 0.0656
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.2799 0.2799
Brugia malayi glutaminase DH11.1 0.033 0.3261 0.3995
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0017 0.0014 0.0017
Toxoplasma gondii hypothetical protein 0.0039 0.0244 0.0965
Loa Loa (eye worm) hypothetical protein 0.0146 0.135 0.1654
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0039 0.0244 0.0749
Echinococcus granulosus segment polarity protein dishevelled 0.0039 0.0244 0.0872
Loa Loa (eye worm) hypothetical protein 0.0802 0.8164 1
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0028 0.0126 0.0388
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0068 0.0536 0.0656
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0068 0.0536 0.1915
Schistosoma mansoni intermediate filament proteins 0.0033 0.0172 0.0528
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0039 0.0244 0.0299
Echinococcus granulosus Protein son of sevenless 0.0028 0.0126 0.0452
Schistosoma mansoni z-protein (S1r protein) 0.0039 0.0244 0.0749
Trichomonas vaginalis guanine nucleotide exchange factor, putative 0.0028 0.0126 0.0346
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0017 0.0014 0.0014
Echinococcus granulosus GPCR family 2 0.0068 0.0536 0.1915
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0802 0.8164 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0361 0.0426
Loa Loa (eye worm) latrophilin receptor protein 2 0.0068 0.0536 0.0656
Echinococcus granulosus cAMP dependent protein kinase type II regulatory 0.0017 0.0014 0.005
Echinococcus granulosus tar DNA binding protein 0.0258 0.2515 0.8986
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0172 0.0211
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.2799 1
Echinococcus multilocularis rap guanine nucleotide exchange factor 1 0.0028 0.0126 0.0126
Schistosoma mansoni tar DNA-binding protein 0.0258 0.2515 0.7711
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0208 0.0815
Onchocerca volvulus 0.0028 0.0126 0.0138
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0028 0.0126 0.0388
Trypanosoma cruzi hypothetical protein 0.0028 0.0126 0.8257
Loa Loa (eye worm) MH2 domain-containing protein 0.0234 0.2267 0.2777
Loa Loa (eye worm) RasGEF domain-containing protein 0.0028 0.0126 0.0155
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0085 0.0718 0.2951
Schistosoma mansoni voltage-gated potassium channel 0.0017 0.0014 0.0043
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0181 0.0514
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0247 0.2399 0.2399
Echinococcus granulosus rap guanine nucleotide exchange factor 6 0.0028 0.0126 0.0452
Loa Loa (eye worm) hypothetical protein 0.0036 0.0208 0.0255
Brugia malayi hypothetical protein 0.0286 0.2799 0.3428
Brugia malayi regulator of G-protein signaling egl-10 0.0039 0.0244 0.0299
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0085 0.0718 0.2951
Loa Loa (eye worm) hypothetical protein 0.0037 0.0218 0.0267
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0247 0.2399 1
Schistosoma mansoni serine/threonine protein kinase 0.0017 0.0014 0.0043
Echinococcus multilocularis segment polarity protein dishevelled 0.0039 0.0244 0.0244
Echinococcus multilocularis chromobox protein 1 0.0084 0.0708 0.0708
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0195 0.0696
Loa Loa (eye worm) glutaminase 0.033 0.3261 0.3995
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0017 0.0014 0.0014
Echinococcus multilocularis son of sevenless 1 0.0028 0.0126 0.0126
Brugia malayi Pre-SET motif family protein 0.0036 0.0208 0.0255
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.015 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0014 0.0017
Echinococcus granulosus cGMP dependent protein kinase 1 0.0017 0.0014 0.005
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0017 0.0014 0.0017
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0017 0.0014 0.0043
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0028 0.0126 0.0388
Brugia malayi hypothetical protein 0.0039 0.0244 0.0299
Loa Loa (eye worm) hypothetical protein 0.0017 0.0014 0.0017
Schistosoma mansoni tar DNA-binding protein 0.0258 0.2515 0.7711
Loa Loa (eye worm) hypothetical protein 0.0214 0.2052 0.2513
Schistosoma mansoni dep domain containing protein 0.0039 0.0244 0.0749
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0247 0.2399 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0072 0.0578 0.2066
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0247 0.2399 0.7344
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0439 0.0538
Onchocerca volvulus 0.0039 0.0244 0.0282
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0015 0.0019
Schistosoma mansoni lamin 0.0033 0.0172 0.0528
Loa Loa (eye worm) hypothetical protein 0.0247 0.2399 0.2938
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.015 1
Echinococcus granulosus son of sevenless 1 0.0028 0.0126 0.0452
Trichomonas vaginalis ras GTP exchange factor, son of sevenless, putative 0.0028 0.0126 0.0346
Schistosoma mansoni hypothetical protein 0.0068 0.0536 0.1643
Loa Loa (eye worm) hypothetical protein 0.0047 0.0324 0.0397
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.005 0.0351 0.1078
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0039 0.0244 0.0299
Entamoeba histolytica hypothetical protein 0.0072 0.0578 1
Trypanosoma cruzi guanine nucleotide releasing protein, putative 0.0028 0.0126 0.8257
Echinococcus granulosus rap guanine nucleotide exchange factor 1 0.0028 0.0126 0.0452
Echinococcus multilocularis patatin phospholipase domain containing protein 0.0017 0.0014 0.0014
Giardia lamblia CAMP-dependent protein kinase regulatory chain 0.0017 0.0014 0.5
Schistosoma mansoni tar DNA-binding protein 0.0258 0.2515 0.7711
Loa Loa (eye worm) hypothetical protein 0.0033 0.0172 0.0211
Schistosoma mansoni chromobox protein 0.0084 0.0708 0.217
Echinococcus granulosus regulator of G protein signaling 7 0.0039 0.0244 0.0872
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0258 0.2515 0.308
Loa Loa (eye worm) transcription factor SMAD2 0.0234 0.2267 0.2777
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0039 0.0244 0.0244
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0247 0.2399 1
Echinococcus multilocularis rap guanine nucleotide exchange factor 6 0.0028 0.0126 0.0126
Echinococcus granulosus intermediate filament protein 0.0033 0.0172 0.0616
Loa Loa (eye worm) DIX domain-containing protein 0.0039 0.0244 0.0299
Echinococcus granulosus hyperpolarization activated cyclic 0.0017 0.0014 0.005
Echinococcus granulosus regulator of G protein signaling 7 0.0039 0.0244 0.0872
Brugia malayi RNA recognition motif domain containing protein 0.0258 0.2515 0.308
Onchocerca volvulus 0.0058 0.0439 0.0521
Entamoeba histolytica hypothetical protein 0.0072 0.0578 1
Echinococcus multilocularis regulator of G protein signaling 7 0.0039 0.0244 0.0244
Schistosoma mansoni camp-dependent protein kinase type I-beta regulatory subunit 0.0017 0.0014 0.0043
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0017 0.0014 0.0043
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0017 0.0014 0.0017
Schistosoma mansoni hypothetical protein 0.0068 0.0536 0.1643
Echinococcus granulosus chromobox protein 1 0.0084 0.0708 0.2528
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0247 0.2399 0.7344
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0085 0.0718 0.2951
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0247 0.2399 1
Schistosoma mansoni chromobox protein 0.0084 0.0708 0.217
Echinococcus granulosus voltage gated potassium channel 0.0017 0.0014 0.005
Entamoeba histolytica hypothetical protein 0.0072 0.0578 1
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0039 0.0244 0.0282
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0708 0.2136
Brugia malayi hypothetical protein 0.003 0.015 0.0184
Echinococcus multilocularis tar DNA binding protein 0.0258 0.2515 0.2515
Echinococcus multilocularis ras GTP exchange factor 0.0028 0.0126 0.0126
Schistosoma mansoni voltage-gated potassium channel 0.0017 0.0014 0.0043
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.015 0.0571
Schistosoma mansoni voltage-gated potassium channel 0.0017 0.0014 0.0043
Schistosoma mansoni neuropathy target esterase/swiss cheese-related protein 0.0017 0.0014 0.0043
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0017 0.0014 0.0043
Brugia malayi DIX domain containing protein 0.0039 0.0244 0.0299
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.0708 0.0867
Schistosoma mansoni lamin 0.0033 0.0172 0.0528
Loa Loa (eye worm) hypothetical protein 0.0017 0.0014 0.0017
Schistosoma mansoni peptidase Clp (S14 family) 0.0247 0.2399 0.7355
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0162 0.1515 1
Onchocerca volvulus 0.0286 0.2804 0.3423
Brugia malayi Calcitonin receptor-like protein seb-1 0.0214 0.2052 0.2513
Echinococcus granulosus segment polarity protein dishevelled 0.0039 0.0244 0.0872
Brugia malayi hypothetical protein 0.002 0.0038 0.0047
Loa Loa (eye worm) hypothetical protein 0.0039 0.0244 0.0299
Schistosoma mansoni cyclic nucleotide-gated ion channel 0.0017 0.0014 0.0043
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0017 0.0014 0.0014
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0015 0.0019
Echinococcus granulosus cGMP dependent protein kinase 0.0017 0.0014 0.005
Echinococcus multilocularis regulator of G protein signaling 7 0.0039 0.0244 0.0244
Loa Loa (eye worm) hypothetical protein 0.0028 0.0126 0.0155
Schistosoma mansoni ras GTP exchange factor 0.0028 0.0126 0.0388
Schistosoma mansoni regulator of G protein signaling 0.0039 0.0244 0.0749
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0017 0.0014 0.0014
Schistosoma mansoni camp-dependent protein kinase type II-alpha regulatory subunit 0.0017 0.0014 0.0043
Brugia malayi TAR-binding protein 0.0258 0.2515 0.308
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0247 0.2399 0.8571
Schistosoma mansoni neuropathy target esterase/swiss cheese-related protein 0.0017 0.0014 0.0043
Loa Loa (eye worm) AGC/PKG protein kinase 0.0017 0.0014 0.0017
Loa Loa (eye worm) hypothetical protein 0.0028 0.0126 0.0155
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0017 0.0014 0.0014
Onchocerca volvulus 0.0033 0.0172 0.0194
Schistosoma mansoni hypothetical protein 0.0072 0.0578 0.1773
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0017 0.0014 0.0014
Brugia malayi hypothetical protein 0.0039 0.0244 0.0299
Schistosoma mansoni voltage-gated potassium channel 0.0017 0.0014 0.0043
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0214 0.2052 0.2513
Echinococcus granulosus hyperpolarization activated cyclic 0.0017 0.0014 0.005
Echinococcus granulosus Pleckstrin G protein interacting region 0.0039 0.0244 0.0872
Schistosoma mansoni serine/threonine protein kinase 0.0017 0.0014 0.0043
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0017 0.0014 0.005
Brugia malayi N-terminal motif family protein 0.0802 0.8164 1
Schistosoma mansoni tar DNA-binding protein 0.0258 0.2515 0.7711
Schistosoma mansoni hypothetical protein 0.0058 0.0439 0.1346
Loa Loa (eye worm) hypothetical protein 0.003 0.015 0.0184
Brugia malayi Egg laying defective protein 4 0.0017 0.0014 0.0017
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0181 0.0514
Schistosoma mansoni hypothetical protein 0.0146 0.135 0.414
Brugia malayi N-terminal motif family protein 0.0028 0.0126 0.0155
Echinococcus multilocularis expressed conserved protein 0.0017 0.0014 0.0014
Entamoeba histolytica hypothetical protein 0.0072 0.0578 1
Schistosoma mansoni dishevelled 0.0039 0.0244 0.0749
Echinococcus granulosus patatin phospholipase domain containing protein 0.0017 0.0014 0.005
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0247 0.2399 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0208 0.0639
Leishmania major hypothetical protein, conserved 0.003 0.015 1
Brugia malayi RasGEF domain containing protein 0.0028 0.0126 0.0155
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0361 0.1069
Loa Loa (eye worm) TAR-binding protein 0.0258 0.2515 0.308
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0017 0.0014 0.0043
Echinococcus multilocularis hyperpolarization activated cyclic 0.0017 0.0014 0.0014
Echinococcus granulosus lamin 0.0033 0.0172 0.0616
Loa Loa (eye worm) RasGEF domain-containing protein 0.0028 0.0126 0.0155
Echinococcus granulosus peptidase Clp S14 family 0.0162 0.1515 0.5414
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0247 0.2399 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0017 0.0014 0.0043
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0017 0.0014 0.0017
Schistosoma mansoni camp-dependent protein kinase type I-beta regulatory subunit 0.0017 0.0014 0.0043
Schistosoma mansoni hypothetical protein 0.0068 0.0536 0.1643
Echinococcus multilocularis lamin dm0 0.0033 0.0172 0.0172
Echinococcus multilocularis peptidase Clp (S14 family) 0.0162 0.1515 0.1515
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0017 0.0014 0.0014
Echinococcus granulosus chromobox protein 1 0.0084 0.0708 0.2528
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.015 0.0571
Brugia malayi RNA binding protein 0.0258 0.2515 0.308
Echinococcus multilocularis chromobox protein 1 0.0084 0.0708 0.0708
Brugia malayi Pre-SET motif family protein 0.0251 0.2443 0.2993
Echinococcus multilocularis lamin 0.0033 0.0172 0.0172
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0708 0.2136
Plasmodium vivax SET domain protein, putative 0.0036 0.0208 0.0815
Echinococcus multilocularis Protein son of sevenless 0.0028 0.0126 0.0126
Mycobacterium ulcerans glutaminase 0.033 0.3261 1
Trichomonas vaginalis set domain proteins, putative 0.0286 0.2804 0.8591
Onchocerca volvulus 0.0037 0.0218 0.025
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0017 0.0014 0.005
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0324 0.038
Brugia malayi MH2 domain containing protein 0.0234 0.2267 0.2777
Trichomonas vaginalis ras GTP exchange factor, putative 0.0028 0.0126 0.0346
Echinococcus granulosus cAMP dependent protein kinase type I beta 0.0017 0.0014 0.005
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.015 0.0571
Schistosoma mansoni camp-dependent protein kinase regulatory chain 0.0017 0.0014 0.0043
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0068 0.0536 0.0536
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0017 0.0014 0.005
Brugia malayi latrophilin 2 splice variant baaae 0.0146 0.135 0.1654
Loa Loa (eye worm) hypothetical protein 0.0032 0.0166 0.0203
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0068 0.0536 0.0536
Echinococcus multilocularis segment polarity protein dishevelled 0.0039 0.0244 0.0244
Schistosoma mansoni camp-dependent rap1 guanine-nucleotide exchange factor 0.0027 0.0112 0.0344
Schistosoma mansoni tar DNA-binding protein 0.0258 0.2515 0.7711
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0208 0.0639
Toxoplasma gondii hypothetical protein 0.0085 0.0718 0.2951
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0017 0.0014 0.0017
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0072 0.0578 0.0578
Echinococcus multilocularis cAMP dependent protein kinase type II regulatory 0.0017 0.0014 0.0014
Schistosoma mansoni hypothetical protein 0.0068 0.0536 0.1643
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0039 0.0244 0.0299
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0247 0.2399 1
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0028 0.0126 0.0388
Echinococcus multilocularis hyperpolarization activated cyclic 0.0017 0.0014 0.0014
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0247 0.2399 1
Brugia malayi Latrophilin receptor protein 2 0.0068 0.0536 0.0656
Loa Loa (eye worm) hypothetical protein 0.0039 0.0244 0.0299
Brugia malayi Cyclic-nucleotide gated cation channel, C. elegans tax-4 ortholog 0.0017 0.0014 0.0017
Echinococcus multilocularis cAMP dependent protein kinase regulatory 0.0017 0.0014 0.0014
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0017 0.0014 0.0014
Echinococcus granulosus cAMP dependent protein kinase regulatory 0.0017 0.0014 0.005
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0208 0.0639
Trichomonas vaginalis glutaminase, putative 0.033 0.3261 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0244 0.0299
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0028 0.0126 0.0138
Echinococcus granulosus cGMP dependent protein kinase 1 0.0017 0.0014 0.005
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0017 0.0014 0.005
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0085 0.0718 0.2951
Schistosoma mansoni survival motor neuron protein 0.0058 0.0439 0.1346
Trypanosoma cruzi hypothetical protein 0.0028 0.0126 0.8257
Loa Loa (eye worm) RNA binding protein 0.0258 0.2515 0.308
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0017 0.0014 0.0014
Loa Loa (eye worm) glutaminase 2 0.033 0.3261 0.3995
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0068 0.0536 0.1915
Brugia malayi Probable ClpP-like protease 0.0247 0.2399 0.2938
Brugia malayi follicle stimulating hormone receptor 0.028 0.2738 0.3354
Brugia malayi cAMP-dependent protein kinase regulatory chain, putative 0.0017 0.0014 0.0017
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0017 0.0014 0.005
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0214 0.2052 0.2513
Echinococcus granulosus lamin dm0 0.0033 0.0172 0.0616
Schistosoma mansoni camp-dependent protein kinase type II regulatory subunit 0.0017 0.0014 0.0043
Echinococcus multilocularis voltage gated potassium channel 0.0017 0.0014 0.0014
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0017 0.0014 0.0043
Schistosoma mansoni transcription factor LCR-F1 0.0072 0.0578 0.1773
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0172 0.0211

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0447 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.3225 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) 10.4179 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) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.7157 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 Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 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) 19.9526 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
Potency (functional) 20.5962 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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.0999 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) 23.1093 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (binding) = 25.1189 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] 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 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] 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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