Detailed information for compound 1550447

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 264.236 | Formula: C8H16N4O6
  • H donors: 5 H acceptors: 5 LogP: -3.5 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: [N-]=[N+]=NC[C@H]([C@H]1O[C@@H](C[C@H]([C@H]1O)O)C(=O)O)O.N
  • InChi: 1S/C8H13N3O6.H3N/c9-11-10-2-4(13)7-6(14)3(12)1-5(17-7)8(15)16;/h3-7,12-14H,1-2H2,(H,15,16);1H3/t3-,4-,5+,6-,7-;/m1./s1
  • InChiKey: NFCNEWGXSSSZJQ-DEOAAGHXSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Echinococcus multilocularis sodium:nucleoside cotransporter 2 0.0217 0.1189 0.3934
Toxoplasma gondii LsmAD domain-containing protein 0.005 0.0113 0.0456
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0064 0.0205 0.0212
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.0164 0.0847 0.5513
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0312 0.18 1
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0038 0.0039 0.0022
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0193 0.0544
Echinococcus multilocularis ubiquitin specific protease 41 0.0038 0.0039 0.0022
Schistosoma mansoni hypothetical protein 0.0494 0.2973 1
Schistosoma mansoni hypothetical protein 0.0047 0.0098 0.022
Schistosoma mansoni cellular tumor antigen P53 0.0051 0.0122 0.0304
Echinococcus multilocularis survival motor neuron protein 1 0.0232 0.1284 0.4257
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0038 0.0039 0.0022
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0038 0.0039 0.0008
Plasmodium falciparum dihydroorotate dehydrogenase 0.0164 0.0847 0.4347
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.01 0.0437 0.169
Schistosoma mansoni dihydroorotate dehydrogenase 0.0164 0.0847 0.2768
Entamoeba histolytica thymidine kinase, putative 0.1295 0.8124 1
Loa Loa (eye worm) RNA binding protein 0.0062 0.0193 0.0627
Onchocerca volvulus 0.0052 0.0128 0.0372
Brugia malayi beta-lactamase family protein 0.0037 0.0033 0.0127
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0098 0.0377
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0038 0.0039 0.0152
Trypanosoma cruzi thymidine kinase, putative 0.1295 0.8124 1
Loa Loa (eye worm) hypothetical protein 0.0434 0.2586 1
Brugia malayi hypothetical protein 0.005 0.0113 0.0439
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0078 0.0155
Brugia malayi thymidylate synthase 0.0267 0.1509 0.5835
Schistosoma mansoni hypothetical protein 0.0151 0.0767 0.2497
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0045 0.0084 0.035
Trichomonas vaginalis thymidine kinase, putative 0.1295 0.8124 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0127 0.0609 0.0713
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0078 0.0155
Echinococcus multilocularis thymidine kinase 0.0474 0.2846 0.9568
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0078 0.0155
Onchocerca volvulus 0.0051 0.0122 0.035
Echinococcus multilocularis transfer RNA-Ile 0.0474 0.2846 0.9568
Loa Loa (eye worm) hypothetical protein 0.0068 0.0233 0.0786
Brugia malayi hypothetical protein 0.0434 0.2586 1
Leishmania major hypothetical protein, conserved 0.005 0.0113 0.01
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0064 0.0205 0.0585
Schistosoma mansoni hypothetical protein 0.0068 0.0233 0.0682
Trichomonas vaginalis conserved hypothetical protein 0.0127 0.0609 0.0713
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0193 0.0544
Brugia malayi hypothetical protein 0.0232 0.1284 0.4966
Echinococcus granulosus thymidylate synthase 0.0267 0.1509 0.5021
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0064 0.0205 0.0212
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0238 0.1323 0.8739
Echinococcus granulosus thymidine kinase 0.0474 0.2846 0.9568
Onchocerca volvulus 0.0052 0.0128 0.0372
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0038 0.0039 0.0008
Trichomonas vaginalis cytidine deaminase, putative 0.0052 0.0128 0.0117
Echinococcus granulosus tar DNA binding protein 0.0062 0.0193 0.0544
Echinococcus granulosus geminin 0.0494 0.2973 1
Echinococcus multilocularis thymidine kinase 0.0474 0.2846 0.9568
Brugia malayi cytidine deaminase, identical 0.0052 0.0128 0.0494
Trichomonas vaginalis thymidine kinase, putative 0.1295 0.8124 1
Onchocerca volvulus 0.0434 0.2586 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0078 0.0155
Echinococcus multilocularis tumor protein p63 0.0349 0.204 0.6827
Leishmania major cytidine deaminase-like protein 0.0052 0.0128 0.0117
Loa Loa (eye worm) hypothetical protein 0.0232 0.1284 0.4902
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.0164 0.0847 0.1006
Toxoplasma gondii cytidine and deoxycytidylate deaminase zinc-binding region domain-containing protein 0.0052 0.0128 0.0537
Loa Loa (eye worm) hypothetical protein 0.005 0.0113 0.0316
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0078 0.0303
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.0164 0.0847 0.5513
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.0164 0.0847 0.4605
Brugia malayi Zinc finger, C2H2 type family protein 0.0064 0.0205 0.0791
Onchocerca volvulus 0.0267 0.1509 0.5782
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0164 0.0847 0.3274
Brugia malayi beta-lactamase family protein 0.0037 0.0033 0.0127
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0038 0.0039 0.0022
Echinococcus granulosus thymidine kinase 0.0474 0.2846 0.9568
Echinococcus granulosus ubiquitin specific protease 41 0.0038 0.0039 0.0022
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0078 0.0155
Schistosoma mansoni hypothetical protein 0.0494 0.2973 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0193 0.0544
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0164 0.0847 0.4605
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0193 0.0544
Brugia malayi Calcitonin receptor-like protein seb-1 0.01 0.0437 0.169
Trypanosoma brucei cytidine deaminase 0.0052 0.0128 0.0117
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0038 0.0039 0.0022
Echinococcus granulosus concentrative Na nucleoside cotransporter 0.0333 0.1934 0.6466
Chlamydia trachomatis dihydrofolate reductase 0.0045 0.0084 0.5
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0038 0.0039 0.0022
Echinococcus multilocularis thyroid hormone receptor alpha 0.0146 0.0736 0.2392
Echinococcus granulosus tumor protein p63 0.0349 0.204 0.6827
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0312 0.18 0.2184
Trichomonas vaginalis thymidine kinase, putative 0.1295 0.8124 1
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0267 0.1509 0.5021
Echinococcus granulosus Thymidine kinase 2 mitochondrial 0.0474 0.2846 0.9568
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0193 0.0627
Loa Loa (eye worm) hypothetical protein 0.0038 0.0039 0.0025
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0039 0.0008
Leishmania major dihydroorotate dehydrogenase 0.0164 0.0847 0.1006
Echinococcus multilocularis cytidine deaminase 0.0052 0.0128 0.0323
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0064 0.0205 0.0585
Entamoeba histolytica cytidine deaminase, putative 0.0052 0.0128 0.0109
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0267 0.1509 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0078 0.0179
Schistosoma mansoni dihydrofolate reductase 0.0045 0.0084 0.0176
Brugia malayi dihydrofolate reductase family protein 0.0045 0.0084 0.0327
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0312 0.18 1
Trypanosoma brucei thymidine kinase 0.1295 0.8124 1
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.0164 0.0847 0.5513
Echinococcus multilocularis dihydrofolate reductase 0.0045 0.0084 0.0176
Mycobacterium leprae PROBABLE CYTIDINE DEAMINASE CDD (CYTIDINE AMINOHYDROLASE) (CYTIDINE NUCLEOSIDE DEAMINASE) 0.0052 0.0128 0.0643
Schistosoma mansoni lozenge 0.0054 0.0144 0.0377
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0312 0.18 1
Echinococcus multilocularis solute carrier family 28 0.0333 0.1934 0.6466
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0039 0.0008
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0078 0.0155
Loa Loa (eye worm) thymidylate synthase 0.0267 0.1509 0.5782
Loa Loa (eye worm) hypothetical protein 0.0051 0.0122 0.035
Schistosoma mansoni thyroid hormone receptor 0.0146 0.0736 0.2392
Schistosoma mansoni thyroid hormone receptor 0.0146 0.0736 0.2392
Schistosoma mansoni thymidine kinase 0.0474 0.2846 0.9568
Loa Loa (eye worm) hypothetical protein 0.01 0.0437 0.1583
Echinococcus multilocularis Protein lozenge 0.0054 0.0144 0.0377
Brugia malayi RNA binding protein 0.0062 0.0193 0.0746
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.0164 0.0847 0.5
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0122 0.0577 0.1853
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0164 0.0847 0.3274
Giardia lamblia Cytidine deaminase 0.0052 0.0128 0.0089
Trichomonas vaginalis cytidine deaminase, putative 0.0052 0.0128 0.0117
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.0164 0.0847 0.1006
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0233 0.0903
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0064 0.0205 0.0585
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0122 0.0577 0.1853
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0064 0.0205 0.0212
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0267 0.1509 1
Trypanosoma cruzi cytidine deaminase-like protein 0.0052 0.0128 0.0117
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0164 0.0847 0.1006
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0064 0.0205 0.0212
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0039 0.0008
Plasmodium vivax ataxin-2 like protein, putative 0.005 0.0113 0.0456
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0164 0.0847 0.1006
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0193 0.0746
Schistosoma mansoni survival motor neuron protein 0.0047 0.0098 0.022
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0312 0.18 0.2184
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.0113 0.01
Brugia malayi TAR-binding protein 0.0062 0.0193 0.0746
Loa Loa (eye worm) hypothetical protein 0.0434 0.2586 1
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0045 0.0084 0.035
Giardia lamblia Thymidine kinase 0.1295 0.8124 0.8117
Brugia malayi Dihydrofolate reductase 0.0045 0.0084 0.0327
Mycobacterium tuberculosis Probable cytidine deaminase Cdd (cytidine aminohydrolase) (cytidine nucleoside deaminase) 0.0052 0.0128 0.0643
Brugia malayi hypothetical protein 0.0127 0.0609 0.2357
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0045 0.0084 0.035
Echinococcus multilocularis thymidylate synthase 0.0267 0.1509 0.5021
Brugia malayi beta-lactamase 0.0037 0.0033 0.0127
Schistosoma mansoni hypothetical protein 0.0122 0.0577 0.1853
Echinococcus granulosus solute carrier family 28 0.0333 0.1934 0.6466
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0064 0.0205 0.0205
Leishmania major thymidine kinase, putative 0.1295 0.8124 1
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.0113 0.01
Loa Loa (eye worm) pigment dispersing factor receptor c 0.01 0.0437 0.1583
Onchocerca volvulus 0.0047 0.0098 0.0253
Trypanosoma cruzi cytidine deaminase-like protein, putative 0.0052 0.0128 0.0117
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0064 0.0205 0.0212
Echinococcus granulosus Na+ dependent nucleoside transporter 0.0333 0.1934 0.6466
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0038 0.0039 0.0022
Echinococcus granulosus dihydrofolate reductase 0.0045 0.0084 0.0176
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0033 0.0127
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0039 0.0008
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0078 0.0155
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0038 0.0039 0.0008
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0193 0.0544
Loa Loa (eye worm) runx1 0.0054 0.0144 0.0434
Echinococcus granulosus cytidine deaminase 0.0052 0.0128 0.0323
Echinococcus granulosus survival motor neuron protein 1 0.0232 0.1284 0.4257
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0064 0.0205 0.0212
Trypanosoma brucei PAB1-binding protein , putative 0.005 0.0113 0.01
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0312 0.18 0.2184
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0064 0.0205 0.0585
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0193 0.0627
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0193 0.0544
Mycobacterium ulcerans cytidine deaminase 0.0052 0.0128 0.0643
Loa Loa (eye worm) dihydrofolate reductase 0.0045 0.0084 0.0202
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0064 0.0205 0.0212
Echinococcus multilocularis geminin 0.0494 0.2973 1
Trypanosoma cruzi thymidine kinase, putative 0.1295 0.8124 1
Mycobacterium tuberculosis Hypothetical protein 0.0127 0.0609 0.3907
Echinococcus multilocularis concentrative Na+ nucleoside cotransporter 0.0333 0.1934 0.6466
Mycobacterium ulcerans thymidylate synthase 0.0267 0.1509 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.
 
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.