Detailed information for compound 2170881

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 262.107 | Formula: C12H14N4O3
  • H donors: 4 H acceptors: 5 LogP: -1.21 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 0
  • SMILES: OC[C@H]1C=C([C@@H]([C@@H]1O)O)n1cnc2c1ccnc2N
  • InChi: InChI=1S/C12H14N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-3,5-6,10-11,17-19H,4H2,(H2,13,14)/t6-,10-,11+/m1/s1
  • InChiKey: PCJCKCSFBICBNZ-PFZYVWIYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens adenosylhomocysteinase-like 1 References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Putative adenosylhomocysteinase 3, putative Get druggable targets OG5_130931 All targets in OG5_130931
Schistosoma mansoni adenosylhomocysteinase Get druggable targets OG5_130931 All targets in OG5_130931
Schistosoma japonicum IPR000043,S-adenosyl-L-homocysteine hydrolase,domain-containing Get druggable targets OG5_130931 All targets in OG5_130931
Schistosoma mansoni adenosylhomocysteinase Get druggable targets OG5_130931 All targets in OG5_130931
Schistosoma japonicum ko:K01251 adenosylhomocysteinase [EC3.3.1.1], putative Get druggable targets OG5_130931 All targets in OG5_130931
Schistosoma mansoni adenosylhomocysteinase Get druggable targets OG5_130931 All targets in OG5_130931
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Probable adenosylhomocysteinase SahH (S-adenosyl-L-homocysteine hydrolase) (adohcyase) adenosylhomocysteinase-like 1 483 aa 480 aa 43.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus adenosylhomocysteinase 0.0097 0 0.5
Schistosoma mansoni adenosylhomocysteinase 0.0195 1 1
Mycobacterium tuberculosis Probable adenosylhomocysteinase SahH (S-adenosyl-L-homocysteine hydrolase) (adohcyase) 0.0097 0 0.5
Plasmodium vivax adenosylhomocysteinase(S-adenosyl-L-homocystein e hydrolase), putative 0.0097 0 0.5
Leishmania major S-adenosylhomocysteine hydrolase 0.0097 0 0.5
Toxoplasma gondii adenosylhomocysteinase, putative 0.0097 0 0.5
Toxoplasma gondii S-Adenosyl homocysteine hydrolase 0.0097 0 0.5
Brugia malayi Adenosylhomocysteinase 0.0097 0 0.5
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0097 0 0.5
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative 0.0097 0 0.5
Mycobacterium leprae putative S-adenosyl-L-homocysteine hydrolase SahH 0.0097 0 0.5
Mycobacterium ulcerans S-adenosyl-L-homocysteine hydrolase 0.0097 0 0.5
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative 0.0097 0 0.5
Trypanosoma brucei S-adenosylhomocysteine hydrolase, putative 0.0097 0 0.5
Plasmodium falciparum adenosylhomocysteinase 0.0097 0 0.5
Echinococcus multilocularis adenosylhomocysteinase 0.0097 0 0.5
Schistosoma mansoni adenosylhomocysteinase 0.0195 1 1
Loa Loa (eye worm) adenosylhomocysteinase 0.0097 0 0.5
Entamoeba histolytica adenosylhomocysteinase, putative 0.0097 0 0.5
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0097 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3.2 nM Inhibition of S-adenosylhomocysteine hydrolase (unknown origin) ChEMBL. 26750250

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.

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