Detailed information for compound 1169484

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 248.281 | Formula: C12H16N4O2
  • H donors: 0 H acceptors: 2 LogP: -0.75 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCc1nnc2n1CCN(C2)Cc1cocc1
  • InChi: 1S/C12H16N4O2/c1-17-9-12-14-13-11-7-15(3-4-16(11)12)6-10-2-5-18-8-10/h2,5,8H,3-4,6-7,9H2,1H3
  • InChiKey: GQWMHOGMNGZMSP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Loa Loa (eye worm) hypothetical protein 0.004 0.0146 0.0168
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0149 0.2464 0.4287
Leishmania major hypothetical protein, conserved 0.005 0.0351 0.6943
Mycobacterium ulcerans esterase/lipase LipP 0.004 0.0146 0.5
Schistosoma mansoni zinc finger protein 0.005 0.0351 0.0611
Schistosoma mansoni hypothetical protein 0.005 0.0351 0.0611
Loa Loa (eye worm) mbt repeat family protein 0.005 0.0346 0.0397
Brugia malayi Pre-SET motif family protein 0.0441 0.8699 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0061 0.0583 0.1679
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.004 0.0146 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.0054 0.0441 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0149 0.2464 0.7094
Entamoeba histolytica hypothetical protein 0.0038 0.0096 0.5
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.011 0.1633 0.4703
Brugia malayi mbt repeat family protein 0.005 0.0346 0.0397
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0196 0.3473 1
Loa Loa (eye worm) transcription factor SMAD2 0.0125 0.1944 0.2235
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0149 0.2464 0.2832
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0096 0.0276
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0063 0.0633 0.1822
Brugia malayi beta-lactamase family protein 0.004 0.0146 0.0168
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0146 0.0254
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0063 0.0633 1
Schistosoma mansoni sex comb on midleg homolog 0.005 0.0346 0.0601
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0149 0.2464 0.7094
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0118 0.1793 0.5161
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0378 0.0435
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0196 0.3473 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0195 0.3454 0.9943
Brugia malayi beta-lactamase 0.004 0.0146 0.0168
Loa Loa (eye worm) hypothetical protein 0.0051 0.0378 0.0435
Loa Loa (eye worm) bromodomain containing protein 0.0058 0.0516 0.0594
Giardia lamblia PHD finger protein 15 0.0034 0 0.5
Mycobacterium leprae conserved hypothetical protein 0.004 0.0146 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.0146 0.0421
Brugia malayi Pre-SET motif family protein 0.0063 0.0633 0.0727
Echinococcus granulosus peregrin 0.0041 0.0165 0.0476
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0441 0.8699 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0346 0.0397
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.005 0.0346 0.0601
Echinococcus multilocularis lysine specific demethylase 5A 0.0041 0.0151 0.0435
Trichomonas vaginalis set domain proteins, putative 0.0502 1 1
Brugia malayi Bromodomain containing protein 0.0125 0.1958 0.2251
Echinococcus granulosus polycomb protein SCMH1 0.005 0.0346 0.0995
Schistosoma mansoni hypothetical protein 0.0038 0.0096 0.0167
Entamoeba histolytica hypothetical protein 0.0038 0.0096 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.0441 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0146 0.0168
Plasmodium vivax SET domain protein, putative 0.0063 0.0633 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0119 0.1824 0.3174
Loa Loa (eye worm) hypothetical protein 0.0054 0.0441 0.0507
Echinococcus granulosus zinc finger protein 0.0064 0.065 0.1871
Schistosoma mansoni hypothetical protein 0.0196 0.3455 0.6011
Echinococcus multilocularis peregrin 0.0041 0.0165 0.0476
Onchocerca volvulus 0.004 0.0146 0.0146
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0074 0.0857 0.1491
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0259 0.4803 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0047 0.0285 0.0327
Schistosoma mansoni hypothetical protein 0.0196 0.3455 0.6011
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0149 0.2464 0.7094
Loa Loa (eye worm) MBCTL1 0.0057 0.0493 0.0567
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0057 0.0493 0.1419
Echinococcus granulosus lysine specific demethylase 5A 0.0047 0.0285 0.0819
Onchocerca volvulus 0.005 0.0346 0.0346
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0119 0.1824 0.3174
Loa Loa (eye worm) hypothetical protein 0.0035 0.0031 0.0036
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.0146 0.0421
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0074 0.0857 0.2468
Echinococcus granulosus histone acetyltransferase MYST2 0.0057 0.0493 0.1419
Brugia malayi jmjC domain containing protein 0.0047 0.0285 0.0327
Plasmodium falciparum ataxin-2 like protein, putative 0.0054 0.0441 1
Echinococcus granulosus jumonji domain containing protein 0.0047 0.0281 0.081
Plasmodium falciparum ataxin-2 like protein, putative 0.0054 0.0441 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0146 0.0168
Entamoeba histolytica hypothetical protein 0.0038 0.0096 0.5
Brugia malayi hypothetical protein 0.0035 0.003 0.0035
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0149 0.2464 0.4287
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0063 0.0633 0.1101
Plasmodium vivax ataxin-2 like protein, putative 0.0054 0.0441 0.6973
Loa Loa (eye worm) hypothetical protein 0.014 0.2262 0.26
Trypanosoma brucei ISWI complex protein 0.005 0.0351 0.6943
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0057 0.0493 0.0567
Loa Loa (eye worm) hypothetical protein 0.0133 0.2128 0.2447
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0057 0.0493 0.1419
Plasmodium vivax hypothetical protein, conserved 0.004 0.0146 0.231
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 0.1944 0.2235
Brugia malayi jmjC domain containing protein 0.011 0.1633 0.1878
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0378 0.0435
Loa Loa (eye worm) hypothetical protein 0.0232 0.4224 0.4855
Brugia malayi beta-lactamase family protein 0.004 0.0146 0.0168
Schistosoma mansoni zinc finger protein 0.0064 0.065 0.1131
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0146 0.0254
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0119 0.1824 0.5252
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0195 0.3454 0.9943
Brugia malayi Bromodomain containing protein 0.0041 0.0165 0.019
Echinococcus granulosus SAM and MBT domain containing protein 0.005 0.0346 0.0995
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0149 0.2464 0.4287
Leishmania major hypothetical protein, conserved 0.0054 0.0441 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0633 0.1101
Toxoplasma gondii LsmAD domain-containing protein 0.0054 0.0441 0.6973
Loa Loa (eye worm) hypothetical protein 0.004 0.0146 0.0168
Brugia malayi PHD-finger family protein 0.0082 0.1023 0.1176
Onchocerca volvulus 0.004 0.0146 0.0146
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0118 0.1793 0.5161
Echinococcus multilocularis polycomb protein SCMH1 0.005 0.0346 0.0995
Schistosoma mansoni jumonji domain containing protein 0.0088 0.115 0.2001
Schistosoma mansoni jumonji/arid domain-containing protein 0.0047 0.0285 0.0495
Echinococcus multilocularis SAM and MBT domain containing protein 0.005 0.0346 0.0995
Loa Loa (eye worm) hypothetical protein 0.004 0.0146 0.0168
Echinococcus multilocularis jumonji domain containing protein 0.0047 0.0281 0.081
Mycobacterium ulcerans hypothetical protein 0.004 0.0146 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0378 0.0435
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0031 0.0036
Brugia malayi Bromodomain containing protein 0.0246 0.4522 0.5199
Loa Loa (eye worm) hypothetical protein 0.004 0.0146 0.0168
Echinococcus multilocularis geminin 0.0196 0.3455 0.9947
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0146 0.0168
Loa Loa (eye worm) PHD-finger family protein 0.0068 0.0724 0.0832
Schistosoma mansoni jumonji/arid domain-containing protein 0.0047 0.0285 0.0495
Loa Loa (eye worm) beta-lactamase 0.004 0.0146 0.0168
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0149 0.2464 0.2832
Trypanosoma cruzi ISWI complex protein 0.005 0.0351 0.6943
Loa Loa (eye worm) hypothetical protein 0.0058 0.0513 0.059
Brugia malayi mbt repeat family protein 0.005 0.0346 0.0397
Echinococcus multilocularis zinc finger protein 0.0064 0.065 0.1871
Mycobacterium ulcerans beta-lactamase 0.004 0.0146 0.5
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.011 0.1633 0.4703
Loa Loa (eye worm) jmjC domain-containing protein 0.0069 0.0764 0.0879
Brugia malayi hypothetical protein 0.0054 0.0441 0.0507
Onchocerca volvulus 0.004 0.0146 0.0146
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.0441 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.0493 0.0567
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0096 0.0167
Schistosoma mansoni sex comb on midleg homolog 0.005 0.0346 0.0601
Toxoplasma gondii ABC1 family protein 0.004 0.0146 0.231
Loa Loa (eye worm) hypothetical protein 0.0126 0.1963 0.2257
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.005 0.0346 0.0346
Schistosoma mansoni hypothetical protein 0.0068 0.0724 0.1259
Echinococcus granulosus fetal alzheimer antigen falz 0.0074 0.0857 0.2468
Echinococcus multilocularis histone acetyltransferase MYST2 0.0057 0.0493 0.1419
Entamoeba histolytica hypothetical protein 0.0038 0.0096 0.5
Echinococcus granulosus geminin 0.0196 0.3455 0.9947
Echinococcus granulosus histone lysine methyltransferase setb 0.0119 0.1824 0.5252
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0146 0.0168
Trypanosoma cruzi ISWI complex protein 0.005 0.0351 0.6943
Schistosoma mansoni myelin transcription factor 1 myt1 0.0057 0.0493 0.0858
Onchocerca volvulus 0.0063 0.0633 0.0633
Mycobacterium ulcerans lipase LipD 0.004 0.0146 0.5
Echinococcus granulosus methyl CpG binding domain protein 2 0.0056 0.0474 0.1364
Loa Loa (eye worm) hypothetical protein 0.0119 0.1824 0.2097
Mycobacterium leprae Probable lipase LipE 0.004 0.0146 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0149 0.2464 0.7094
Brugia malayi MH2 domain containing protein 0.0125 0.1944 0.2235
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0056 0.0474 0.1364
Schistosoma mansoni hypothetical protein 0.0035 0.0031 0.0054
Schistosoma mansoni methyl-cpg binding protein mbd 0.0056 0.0474 0.0824
Schistosoma mansoni methyl-cpg binding protein mbd 0.0056 0.0474 0.0824
Schistosoma mansoni hypothetical protein 0.0303 0.5748 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0096 0.0276
Brugia malayi hypothetical protein 0.0038 0.0096 0.011
Schistosoma mansoni bromodomain containing protein 0.0207 0.3704 0.6444

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.
 
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.

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