Detailed information for compound 1124587

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 326.309 | Formula: C12H18N6O5
  • H donors: 6 H acceptors: 7 LogP: -2.27 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: OCCNc1nc(N)c2c(n1)n(cn2)C1O[C@@H]([C@H]([C@H]1O)O)CO
  • InChi: 1S/C12H18N6O5/c13-9-6-10(17-12(16-9)14-1-2-19)18(4-15-6)11-8(22)7(21)5(3-20)23-11/h4-5,7-8,11,19-22H,1-3H2,(H3,13,14,16,17)/t5-,7-,8-,11?/m1/s1
  • InChiKey: WFLPUZVECANZHV-YNJARDAQSA-N  

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
Schistosoma mansoni hypothetical protein 0.0045 0.0771 0.0771
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM23, putative 0.0045 0.0771 0.6801
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.2977 0.2977
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM23, putative 0.0045 0.0771 0.6879
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.2977 0.2977
Toxoplasma gondii NAC domain-containing protein 0.0039 0.0501 0.4469
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0255 1 1
Brugia malayi beta-NAC-like protein 0.0039 0.0501 0.1266
Leishmania major basic transcription factor 3a, putative 0.0039 0.0501 0.9084
Loa Loa (eye worm) ICD-1 protein 0.0039 0.0501 0.0501
Echinococcus granulosus expressed protein 0.0053 0.112 0.112
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0551 0.0551
Loa Loa (eye worm) hypothetical protein 0.004 0.0551 0.0551
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0254 0.9957 1
Loa Loa (eye worm) TAR-binding protein 0.007 0.1876 0.1876
Loa Loa (eye worm) hypothetical protein 0.0045 0.0771 0.0771
Loa Loa (eye worm) hypothetical protein 0.004 0.0551 0.0551
Brugia malayi beta-lactamase 0.004 0.0551 0.1394
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.0551 0.0551
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0028 0.0246
Loa Loa (eye worm) hypothetical protein 0.004 0.0551 0.0551
Onchocerca volvulus 0.004 0.0551 0.5
Entamoeba histolytica hypothetical protein 0.0075 0.2086 1
Echinococcus granulosus tar DNA binding protein 0.007 0.1876 0.1876
Schistosoma mansoni transcription factor LCR-F1 0.0075 0.2086 0.2086
Mycobacterium leprae Probable lipase LipE 0.004 0.0551 0.5
Mycobacterium ulcerans hypothetical protein 0.004 0.0551 0.5
Schistosoma mansoni tar DNA-binding protein 0.007 0.1876 0.1876
Trypanosoma cruzi transcription factor btf3, putative 0.0039 0.0501 0.9084
Brugia malayi Mitochondrial import inner membrane translocase subunit TIM10 0.0053 0.112 0.2834
Entamoeba histolytica hypothetical protein 0.0075 0.2086 1
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0551 1
Onchocerca volvulus 0.004 0.0551 0.5
Plasmodium vivax hypothetical protein, conserved 0.004 0.0551 0.4791
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0075 0.2086 0.2086
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0095 0.2977 0.7531
Leishmania major hypothetical protein, conserved 0.004 0.0551 1
Echinococcus multilocularis mitochondrial import inner membrane translocase subunit TIM23, putative 0.0045 0.0771 0.0771
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0551 1
Brugia malayi RNA binding protein 0.007 0.1876 0.4748
Echinococcus multilocularis expressed protein 0.0053 0.112 0.112
Entamoeba histolytica hypothetical protein 0.0075 0.2086 1
Toxoplasma gondii TIM10 family protein, putative 0.0053 0.112 1
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0045 0.0771 0.195
Trichomonas vaginalis esterase, putative 0.004 0.0551 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.2977 0.2977
Trypanosoma brucei transcription factor BTF3, putative 0.0039 0.0501 0.9084
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0551 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0551 0.0551
Loa Loa (eye worm) hypothetical protein 0.004 0.0551 0.0551
Loa Loa (eye worm) transport to inner mitochondrial membrane family member 0.0053 0.112 0.112
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.2977 0.2977
Brugia malayi RNA recognition motif domain containing protein 0.007 0.1876 0.4748
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0255 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0551 1
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0551 1
Brugia malayi beta-lactamase family protein 0.004 0.0551 0.1394
Plasmodium falciparum basic transcription factor 3b, putative 0.0039 0.0501 0.4469
Echinococcus multilocularis tar DNA binding protein 0.007 0.1876 0.1876
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0028 0.05
Schistosoma mansoni tar DNA-binding protein 0.007 0.1876 0.1876
Brugia malayi hypothetical protein 0.0028 0.0028 0.007
Brugia malayi hypothetical protein 0.0075 0.2086 0.5278
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.2977 0.2977
Brugia malayi TAR-binding protein 0.007 0.1876 0.4748
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.2977 0.2977
Loa Loa (eye worm) beta-lactamase 0.004 0.0551 0.0551
Toxoplasma gondii ABC1 family protein 0.004 0.0551 0.4919
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0028 0.0246
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM10, putative 0.0053 0.112 1
Mycobacterium ulcerans esterase/lipase LipP 0.004 0.0551 0.5
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0045 0.0771 0.195
Mycobacterium leprae conserved hypothetical protein 0.004 0.0551 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0028 0.05
Toxoplasma gondii mitochondrial inner membrane translocase subunit TIM17, putative 0.0045 0.0771 0.6879
Brugia malayi hypothetical protein 0.0117 0.3952 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0551 0.1394
Schistosoma mansoni tar DNA-binding protein 0.007 0.1876 0.1876
Loa Loa (eye worm) hypothetical protein 0.004 0.0551 0.0551
Schistosoma mansoni tar DNA-binding protein 0.007 0.1876 0.1876
Mycobacterium ulcerans beta-lactamase 0.004 0.0551 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0551 0.0551
Trypanosoma cruzi transcription factor btf3, putative 0.0039 0.0501 0.9084
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0551 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0028 0.0246
Loa Loa (eye worm) RNA binding protein 0.007 0.1876 0.1876
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0551 0.0551
Toxoplasma gondii mitochondrial import inner membrane translocase subunit TIM10, putative 0.0053 0.112 1
Mycobacterium ulcerans lipase LipD 0.004 0.0551 0.5
Echinococcus granulosus transcription factor btf3 0.0039 0.0501 0.0501
Schistosoma mansoni transcription factor btf3 0.0039 0.0501 0.0501
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0028 0.05
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.004 0.0551 0.5
Plasmodium vivax basic transcription factor 3b, putative 0.0039 0.0501 0.4329
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0075 0.2086 0.2086
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0045 0.0771 0.195
Brugia malayi hypothetical protein 0.004 0.058 0.1467
Brugia malayi beta-lactamase family protein 0.004 0.0551 0.1394
Brugia malayi hypothetical protein 0.004 0.058 0.1467
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0255 1 1
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0551 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.007 0.1876 0.1876
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.2977 0.2977
Entamoeba histolytica hypothetical protein 0.0075 0.2086 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0095 0.2977 0.2977
Loa Loa (eye worm) hypothetical protein 0.0028 0.0028 0.0028
Echinococcus multilocularis transcription factor btf3 0.0039 0.0501 0.0501
Leishmania major hypothetical protein, conserved 0.0028 0.0028 0.05
Schistosoma mansoni mitochondrial import inner membrane translocase subunit tim10 0.0053 0.112 0.112
Onchocerca volvulus 0.004 0.0551 0.5
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0551 1
Schistosoma mansoni tar DNA-binding protein 0.007 0.1876 0.1876
Schistosoma mansoni hypothetical protein 0.0075 0.2086 0.2086
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM10, putative 0.0053 0.112 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.0551 0.0551

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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