Detailed information for compound 694973

Basic information

Technical information
  • TDR Targets ID: 694973
  • Name: 8-[4-[(2,6-dichlorophenyl)methyl]piperazin-1- yl]-7-ethyl-3-methylpurine-2,6-dione
  • MW: 437.323 | Formula: C19H22Cl2N6O2
  • H donors: 1 H acceptors: 3 LogP: 2.7 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCN(CC1)Cc1c(Cl)cccc1Cl
  • InChi: 1S/C19H22Cl2N6O2/c1-3-27-15-16(24(2)19(29)23-17(15)28)22-18(27)26-9-7-25(8-10-26)11-12-13(20)5-4-6-14(12)21/h4-6H,3,7-11H2,1-2H3,(H,23,28,29)
  • InChiKey: XXUGVVMDSULBNA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 8-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-7-ethyl-3-methyl-purine-2,6-dione
  • 8-[4-[(2,6-dichlorophenyl)methyl]-1-piperazinyl]-7-ethyl-3-methylpurine-2,6-dione
  • 8-[4-(2,6-dichlorobenzyl)piperazin-1-yl]-7-ethyl-3-methyl-xanthine
  • STOCK5S-89690
  • BAS 13116970

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi calpain family protein 1 0.0064 0.0501 0.0862
Trichomonas vaginalis conserved hypothetical protein 0.0069 0.0563 0.0941
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.012 0.0207
Echinococcus multilocularis GPCR, family 2 0.0063 0.0476 0.047
Brugia malayi hypothetical protein 0.0153 0.1657 0.2852
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.004 0.0067
Leishmania major hypothetical protein, conserved 0.0035 0.012 0.0206
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.004 0.0067
Mycobacterium ulcerans beta-lactamase 0.0035 0.012 0.0194
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.012 0.0194
Brugia malayi MH2 domain containing protein 0.0245 0.2854 0.4912
Schistosoma mansoni hypothetical protein 0.0135 0.1425 0.1635
Schistosoma mansoni hypothetical protein 0.0533 0.6612 0.7616
Brugia malayi jmjC domain containing protein 0.0035 0.012 0.0207
Echinococcus granulosus neuropeptide s receptor 0.0463 0.5703 0.6569
Brugia malayi jmjC domain containing protein 0.0096 0.0907 0.1561
Echinococcus multilocularis survival motor neuron protein 1 0.0237 0.275 0.2745
Echinococcus multilocularis geminin 0.0533 0.6612 0.6609
Brugia malayi glucose-6-phosphate dehydrogenase 0.0471 0.581 1
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.0163 0.1793 0.6878
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.012 0.0206
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.012 0.013
Echinococcus granulosus tar DNA binding protein 0.0066 0.0516 0.0588
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0138 0.1458 0.1673
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0471 0.581 1
Trichomonas vaginalis esterase, putative 0.0035 0.012 0.0191
Mycobacterium leprae conserved hypothetical protein 0.0035 0.012 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.012 0.0191
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.012 0.0113
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.048 0.592 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0138 0.1458 0.1452
Echinococcus multilocularis tar DNA binding protein 0.0066 0.0516 0.051
Brugia malayi TAR-binding protein 0.0066 0.0516 0.0889
Echinococcus granulosus peregrin 0.0029 0.004 0.0038
Echinococcus granulosus transcription factor btf3 0.0069 0.0563 0.0642
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.012 0.0191
Schistosoma mansoni hypothetical protein 0.0063 0.0476 0.0541
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.012 0.0434
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0308 0.3676 0.621
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.004 0.0033
Onchocerca volvulus 0.0035 0.012 0.0493
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0289 0.0498
Onchocerca volvulus Huntingtin homolog 0.0123 0.126 0.7546
Loa Loa (eye worm) hypothetical protein 0.0035 0.012 0.0206
Plasmodium falciparum phd finger protein, putative 0.0029 0.004 0.0067
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0068 0.0544 0.0537
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.004 0.0038
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0096 0.0907 0.1038
Loa Loa (eye worm) hypothetical protein 0.0135 0.1425 0.2452
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0198 0.2242 0.3858
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.012 0.013
Trichomonas vaginalis conserved hypothetical protein 0.0069 0.0563 0.0941
Brugia malayi Calcitonin receptor-like protein seb-1 0.0198 0.2242 0.3858
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0138 0.1458 0.2509
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0471 0.581 0.5
Loa Loa (eye worm) hypothetical protein 0.0153 0.1657 0.2852
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.012 0.0434
Loa Loa (eye worm) hypothetical protein 0.0064 0.0501 0.0862
Loa Loa (eye worm) calpain family protein 1 0.0064 0.0501 0.0862
Echinococcus multilocularis calpain A 0.0068 0.0544 0.0537
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0063 0.0476 0.0819
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0471 0.581 1
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.048 0.592 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.012 0.0434
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0471 0.581 0.5807
Loa Loa (eye worm) beta-lactamase 0.0035 0.012 0.0206
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0471 0.581 1
Schistosoma mansoni microtubule-associated protein tau 0.0691 0.8679 1
Schistosoma mansoni hypothetical protein 0.0063 0.0476 0.0541
Loa Loa (eye worm) hypothetical protein 0.0123 0.126 0.2169
Loa Loa (eye worm) latrophilin receptor protein 2 0.0063 0.0476 0.0819
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.0152 0.1638 0.2819
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0096 0.0907 0.0901
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0073 0.0616 0.061
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.012 0.0434
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.048 0.592 1
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0471 0.581 0.6692
Mycobacterium tuberculosis Conserved protein 0.0035 0.012 0.0434
Schistosoma mansoni hypothetical protein 0.0029 0.004 0.0038
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.012 0.0434
Plasmodium vivax hypothetical protein, conserved 0.0029 0.004 0.0067
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0471 0.581 1
Leishmania major basic transcription factor 3a, putative 0.0069 0.0563 0.0969
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0446 0.0767
Plasmodium vivax basic transcription factor 3b, putative 0.0069 0.0563 0.0951
Loa Loa (eye worm) calpain family protein 1 0.0045 0.025 0.0431
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0471 0.581 0.6692
Brugia malayi beta-NAC-like protein 0.0069 0.0563 0.0969
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0516 0.0588
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0073 0.0616 0.0703
Brugia malayi beta-lactamase family protein 0.0035 0.012 0.0206
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0189 0.021
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.012 0.013
Echinococcus granulosus GPCR family 2 0.0063 0.0476 0.0541
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0138 0.1458 0.1673
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.012 0.0434
Toxoplasma gondii NAC domain-containing protein 0.0069 0.0563 0.0951
Brugia malayi hypothetical protein 0.0123 0.126 0.2169
Echinococcus granulosus geminin 0.0533 0.6612 0.7616
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0068 0.0544 0.0619
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0138 0.1458 0.1673
Echinococcus granulosus microtubule associated protein 2 0.0691 0.8679 1
Brugia malayi beta-lactamase family protein 0.0035 0.012 0.0206
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0027 0.0007 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.012 0.013
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0189 0.0182
Loa Loa (eye worm) hypothetical protein 0.0064 0.0501 0.0862
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0471 0.581 1
Echinococcus multilocularis calpain family protein 1, d 0.0045 0.025 0.0244
Loa Loa (eye worm) hypothetical protein 0.0237 0.275 0.4732
Mycobacterium tuberculosis Conserved protein 0.0035 0.012 0.0434
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0138 0.1458 0.1673
Onchocerca volvulus Huntingtin homolog 0.0123 0.126 0.7546
Echinococcus granulosus calpain A 0.0068 0.0544 0.0619
Loa Loa (eye worm) hypothetical protein 0.005 0.0312 0.0537
Loa Loa (eye worm) transcription factor SMAD2 0.0245 0.2854 0.4912
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.004 0.0038
Mycobacterium ulcerans hypothetical protein 0.0035 0.012 0.0194
Brugia malayi RNA binding protein 0.0066 0.0516 0.0889
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.012 0.0206
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.048 0.592 1
Brugia malayi beta-lactamase 0.0035 0.012 0.0206
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.012 0.0206
Plasmodium falciparum basic transcription factor 3b, putative 0.0069 0.0563 0.0951
Brugia malayi hypothetical protein 0.0237 0.275 0.4732
Schistosoma mansoni survival motor neuron protein 0.0048 0.0289 0.0326
Brugia malayi calpain family protein 1 0.0064 0.0501 0.0862
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0516 0.0588
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.012 0.0434
Trichomonas vaginalis conserved hypothetical protein 0.0069 0.0563 0.0941
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0516 0.0588
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0068 0.0544 0.0619
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.048 0.592 1
Echinococcus multilocularis microtubule associated protein 2 0.0691 0.8679 0.8678
Echinococcus multilocularis neuropeptide s receptor 0.0463 0.5703 0.57
Entamoeba histolytica hypothetical protein 0.0073 0.0616 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0226 0.2603 1
Onchocerca volvulus 0.0035 0.012 0.0493
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.012 0.013
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0064 0.0501 0.057
Loa Loa (eye worm) TAR-binding protein 0.0066 0.0516 0.0889
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0063 0.0476 0.047
Loa Loa (eye worm) hypothetical protein 0.0035 0.012 0.0206
Onchocerca volvulus 0.0153 0.1657 1
Onchocerca volvulus 0.0048 0.0289 0.1542
Trypanosoma cruzi transcription factor btf3, putative 0.0069 0.0563 0.0969
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0063 0.0476 0.047
Onchocerca volvulus 0.0045 0.025 0.1301
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0308 0.3676 0.6323
Trypanosoma brucei transcription factor BTF3, putative 0.0069 0.0563 0.0969
Mycobacterium leprae Probable lipase LipE 0.0035 0.012 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.012 0.0206
Plasmodium vivax hypothetical protein, conserved 0.0035 0.012 0.0202
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.012 0.0194
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.012 0.0191
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.004 0.0069
Toxoplasma gondii ABC1 family protein 0.0035 0.012 0.0202
Loa Loa (eye worm) hypothetical protein 0.0035 0.012 0.0206
Entamoeba histolytica hypothetical protein 0.0073 0.0616 1
Echinococcus granulosus neuropeptide receptor A26 0.0463 0.5703 0.6569
Schistosoma mansoni hypothetical protein 0.0533 0.6612 0.7616
Loa Loa (eye worm) ICD-1 protein 0.0069 0.0563 0.0969
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.048 0.592 1
Onchocerca volvulus 0.0035 0.012 0.0493
Loa Loa (eye worm) hypothetical protein 0.0035 0.012 0.0206
Schistosoma mansoni hypothetical protein 0.0063 0.0476 0.0541
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.012 0.0206
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.012 0.013
Schistosoma mansoni hypothetical protein 0.0073 0.0616 0.0703
Mycobacterium ulcerans lipase LipD 0.0035 0.012 0.0194
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0156 0.1697 0.2921
Schistosoma mansoni transcription factor btf3 0.0069 0.0563 0.0642
Loa Loa (eye worm) hypothetical protein 0.0029 0.004 0.0069
Loa Loa (eye worm) hypothetical protein 0.0198 0.2242 0.3858
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0138 0.1458 0.2509
Brugia malayi Latrophilin receptor protein 2 0.0063 0.0476 0.0819
Trypanosoma cruzi transcription factor btf3, putative 0.0069 0.0563 0.0969
Brugia malayi PHD-finger family protein 0.0029 0.004 0.0069
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.012 0.0191
Brugia malayi latrophilin 2 splice variant baaae 0.0135 0.1425 0.2452
Loa Loa (eye worm) hypothetical protein 0.0045 0.025 0.0431
Loa Loa (eye worm) hypothetical protein 0.0045 0.025 0.0431
Loa Loa (eye worm) MH2 domain-containing protein 0.0245 0.2854 0.4912
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0516 0.0588
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0471 0.581 1
Schistosoma mansoni hypothetical protein 0.0048 0.0289 0.0326
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.0516 0.0889
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.048 0.592 1
Schistosoma mansoni jumonji domain containing protein 0.0076 0.065 0.0742
Brugia malayi Bromodomain containing protein 0.0029 0.004 0.0069
Loa Loa (eye worm) hypothetical protein 0.0035 0.012 0.0206
Schistosoma mansoni transcription factor LCR-F1 0.0073 0.0616 0.0703
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0516 0.0588
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0138 0.1458 0.1452
Loa Loa (eye worm) RNA binding protein 0.0066 0.0516 0.0889
Entamoeba histolytica hypothetical protein 0.0073 0.0616 1
Loa Loa (eye worm) hypothetical protein 0.0123 0.126 0.2169
Loa Loa (eye worm) hypothetical protein 0.0063 0.0476 0.0819
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0063 0.0476 0.0541
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0068 0.0544 0.0619
Brugia malayi hypothetical protein 0.0073 0.0616 0.106
Echinococcus multilocularis transcription factor btf3 0.0069 0.0563 0.0557
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0138 0.1458 0.1673
Schistosoma mansoni hypothetical protein 0.0063 0.0476 0.0541
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.012 0.0434
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 0.0516 0.0889
Echinococcus granulosus survival motor neuron protein 1 0.0237 0.275 0.3163
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.012 0.0206
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.012 0.0191
Echinococcus multilocularis neuropeptide receptor A26 0.0463 0.5703 0.57
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0063 0.0476 0.0541
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0198 0.2242 0.3858
Echinococcus multilocularis peregrin 0.0029 0.004 0.0033
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.012 0.0113
Entamoeba histolytica hypothetical protein 0.0073 0.0616 1

Activities

No activities found for this compound.

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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