Detailed information for compound 180676

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 308.383 | Formula: C13H24N8O
  • H donors: 5 H acceptors: 1 LogP: -1.96 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=N/N=C/C1CC[C@]2([C@]1(C)CC/C(=N\N=C(N)N)/C2)O)N
  • InChi: 1S/C13H24N8O/c1-12-4-3-9(19-21-11(16)17)6-13(12,22)5-2-8(12)7-18-20-10(14)15/h7-8,22H,2-6H2,1H3,(H4,14,15,20)(H4,16,17,21)/b18-7+,19-9+/t8?,12-,13+/m1/s1
  • InChiKey: IIMJPONRZVCTFP-VTGQTCRASA-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
Toxoplasma gondii Purine nucleoside phosphorylase 0.018 0.7599 0.6467
Echinococcus granulosus mitogen activated protein kinase 0.0216 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0216 1 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0216 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0216 1 1
Giardia lamblia Kinase, CMGC MAPK 0.0216 1 0.5
Echinococcus multilocularis mitogen activated protein kinase 0.0216 1 1
Loa Loa (eye worm) histone deacetylase 7A 0.0113 0.3205 0.3205
Echinococcus multilocularis mitogen activated protein kinase 3 0.0216 1 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0216 1 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0216 1 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0216 1 1
Plasmodium vivax purine nucleoside phosphorylase, putative 0.018 0.7599 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0216 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.0925 0.0925
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.018 0.7599 0.5
Treponema pallidum uridine phosphorylase (udp) 0.018 0.7599 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0216 1 1
Plasmodium falciparum purine nucleoside phosphorylase 0.018 0.7599 1
Schistosoma mansoni serine/threonine protein kinase 0.0216 1 1
Loa Loa (eye worm) histone deacetylase 0.0113 0.3205 0.3205
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.018 0.7599 0.5
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0216 1 1
Treponema pallidum purine nucleoside phosphorylase (deoD) 0.018 0.7599 0.5
Echinococcus multilocularis histone deacetylase 6 0.0127 0.413 0.1361
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0216 1 1
Trypanosoma brucei protein kinase, putative 0.0216 1 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0216 1 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0216 1 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0216 1 1
Echinococcus granulosus histone deacetylase 6 0.0127 0.413 0.1361
Schistosoma mansoni histone deacetylase hda2 0.0127 0.413 0.1361
Trichomonas vaginalis CMGC family protein kinase 0.0216 1 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) 0 Compound was measured for inotropic activity against isolated guinea pig atria at concentration 3 x 10e-4; Negitive inotropic activity ChEMBL. 9873706

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

No external resources registered 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.