Detailed information for compound 343443

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 332.315 | Formula: C14H16N6O4
  • H donors: 3 H acceptors: 7 LogP: -1.55 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC1OC(C(C1O)O)n1cnc2c1ncnc2c1ccnn1C
  • InChi: 1S/C14H16N6O4/c1-19-7(2-3-18-19)9-10-13(16-5-15-9)20(6-17-10)14-12(23)11(22)8(4-21)24-14/h2-3,5-6,8,11-12,14,21-23H,4H2,1H3
  • InChiKey: JZVVRMZWKZLDIK-UHFFFAOYSA-N  

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
Trichomonas vaginalis glycogen debranching enzyme, putative 0.0128 0.0363 0.1694
Plasmodium vivax glutamine-dependent NAD(+) synthetase, putative 0.0084 0 0.5
Brugia malayi Glycosyl hydrolases family 31 protein 0.0805 0.599 1
Schistosoma mansoni alpha-l-fucosidase 0.0779 0.5773 1
Mycobacterium ulcerans alpha-L-fucosidase 0.0779 0.5773 0.5773
Schistosoma mansoni dihydrofolate reductase 0.0176 0.0762 0.132
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0135 0.0428 1
Trypanosoma cruzi hypothetical protein, conserved 0.0135 0.0428 1
Brugia malayi Dihydrofolate reductase 0.0176 0.0762 0.1257
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0342 0.2141 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0085 0.001 0.0047
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0085 0.001 0.0047
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0176 0.0762 0.0762
Echinococcus granulosus dihydrofolate reductase 0.0176 0.0762 0.0709
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0085 0.001 0.0236
Trichomonas vaginalis alpha-glucosidase, putative 0.0135 0.0428 0.1997
Trichomonas vaginalis alpha-glucosidase, putative 0.0135 0.0428 0.1997
Trichomonas vaginalis alpha-glucosidase, putative 0.0085 0.001 0.0047
Brugia malayi Alpha-L-fucosidase family protein 0.0779 0.5773 0.9638
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0176 0.0762 0.0762
Loa Loa (eye worm) alpha-L-fucosidase 0.0779 0.5773 0.9638
Leishmania major alpha glucosidase II subunit, putative 0.0135 0.0428 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0135 0.0428 0.1997
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0805 0.599 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0135 0.0428 0.0698
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0135 0.0428 0.0698
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0085 0.001 0.0236
Trichomonas vaginalis alpha-glucosidase, putative 0.0085 0.001 0.0047
Echinococcus granulosus fucosidase alpha L 1 tissue 0.0779 0.5773 0.9615
Trichomonas vaginalis maltase-glucoamylase, putative 0.0135 0.0428 0.1997
Schistosoma mansoni hypothetical protein 0.0164 0.0666 0.1153
Loa Loa (eye worm) dihydrofolate reductase 0.0176 0.0762 0.1257
Schistosoma mansoni alpha-glucosidase 0.0755 0.5572 0.9652
Trichomonas vaginalis alpha-glucosidase, putative 0.0135 0.0428 0.1997
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0135 0.0428 1
Trichomonas vaginalis glycogen debranching enzyme, putative 0.0128 0.0363 0.1694
Brugia malayi dihydrofolate reductase family protein 0.0176 0.0762 0.1257
Echinococcus multilocularis dihydrofolate reductase 0.0176 0.0762 0.0709
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0085 0.001 0.0236
Schistosoma mansoni alpha glucosidase 0.0135 0.0428 0.0741
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0135 0.0428 1
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0342 0.2141 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0805 0.599 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0085 0.001 0.0047
Plasmodium falciparum glutamine-dependent NAD(+) synthetase, putative 0.0084 0 0.5
Onchocerca volvulus 0.0596 0.4253 1
Entamoeba histolytica glycogen debranching enzyme, putative 0.0128 0.0363 0.8485
Trypanosoma brucei glycosyl hydrolase-like protein 0.0085 0.001 0.0236
Giardia lamblia 4-alpha-glucanotransferase, amylo-alpha-1,6-glucosidase 0.0128 0.0363 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0085 0.001 0.0047
Trichomonas vaginalis alpha-glucosidase, putative 0.0135 0.0428 0.1997
Echinococcus multilocularis neutral alpha glucosidase AB 0.0135 0.0428 0.0115
Trypanosoma cruzi hypothetical protein, conserved 0.0135 0.0428 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0135 0.0428 0.1997
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0085 0.001 0.0047
Leishmania major glycosyl hydrolase-like protein 0.0085 0.001 0.0236
Trichomonas vaginalis alpha-glucosidase, putative 0.0085 0.001 0.0047
Toxoplasma gondii Amylo-alpha-1,6-glucosidase 0.0128 0.0363 0.8485
Echinococcus granulosus neutral alpha glucosidase AB 0.0135 0.0428 0.0115
Schistosoma mansoni alpha-glucosidase 0.0755 0.5572 0.9652
Mycobacterium ulcerans arylamine N-acetyltransferase Nat 0.1287 1 1
Schistosoma mansoni hypothetical protein 0.0092 0.0068 0.0119
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0135 0.0428 0.1997
Echinococcus multilocularis fucosidase, alpha L 1, tissue 0.0779 0.5773 0.9615
Loa Loa (eye worm) hypothetical protein 0.0128 0.0363 0.059
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0176 0.0762 1
Chlamydia trachomatis dihydrofolate reductase 0.0176 0.0762 0.5
Trichomonas vaginalis sucrase-isomaltase, putative 0.0135 0.0428 0.1997
Echinococcus granulosus lysosomal alpha glucosidase 0.0805 0.599 1
Treponema pallidum NAD synthetase 0.0084 0 0.5
Brugia malayi Amylo-alpha-1,6-glucosidase family protein 0.0128 0.0363 0.059
Trypanosoma brucei glucosidase, putative 0.0135 0.0428 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0805 0.599 1

Activities

Activity type Activity value Assay description Source Reference
CC50 (functional) > 100 uM Cytotoxic concentration required to reduce the rRNA level of hepatitis C virus ChEMBL. 16134952
EC90 (functional) > 100 uM Effective concentration required to reduce Hepatitis C virus ChEMBL. 16134952
IC50 (functional) 0 uM In vitro inhibitory concentration against mouse leukemia L1210 cell line; n.a. is not active ChEMBL. 16134952
IC50 (functional) 0 uM In vitro inhibitory concentration against human promyelocytic leukemia HL60 cell line; n.a. is not active ChEMBL. 16134952
IC50 (functional) 0 uM In vitro inhibitory concentration against human cervix carcinoma HeLaS3 cell line; n.a. is not active ChEMBL. 16134952
IC50 (functional) NA 0 uM In vitro inhibitory concentration against human T lymphoblastoid CCRF-CEM cell line ChEMBL. 16134952

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.