Detailed information for compound 1512525

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 195.218 | Formula: C9H13N3O2
  • H donors: 3 H acceptors: 2 LogP: 0.23 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)N/N=C/C1CC2CC1C=C2
  • InChi: 1S/C9H13N3O2/c13-9(12-14)11-10-5-8-4-6-1-2-7(8)3-6/h1-2,5-8,14H,3-4H2,(H2,11,12,13)/b10-5+
  • InChiKey: GRRQSWXLKMRHOV-BJMVGYQFSA-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
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0188 0.1701 0.1701
Loa Loa (eye worm) CAMK protein kinase 0.0181 0.1368 0.2156
Loa Loa (eye worm) hypothetical protein 0.0233 0.3655 0.576
Brugia malayi Immunoglobulin I-set domain containing protein 0.023 0.349 0.4264
Schistosoma mansoni myosin-binding protein-related 0.0181 0.1368 0.1616
Echinococcus granulosus titin 0.0181 0.1368 0.1368
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.023 0.349 0.349
Echinococcus multilocularis neuroglian 0.0185 0.1533 0.1533
Onchocerca volvulus 0.0181 0.1368 0.5
Echinococcus granulosus neuroglian 0.023 0.349 0.349
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0241 0.3988 0.6285
Onchocerca volvulus 0.0181 0.1368 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0194 0.1958 0.1185
Loa Loa (eye worm) hypothetical protein 0.023 0.349 0.5501
Echinococcus granulosus titin 0.0181 0.1368 0.1368
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.023 0.349 0.4122
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0181 0.1368 0.2156
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0194 0.1958 0.3085
Loa Loa (eye worm) hypothetical protein 0.0295 0.6345 1
Echinococcus granulosus roundabout 2 0.023 0.349 0.349
Brugia malayi Immunoglobulin I-set domain containing protein 0.023 0.349 0.4264
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.023 0.349 0.349
Schistosoma mansoni hypothetical protein 0.0181 0.1368 0.1616
Echinococcus granulosus nephrin 0.0181 0.1368 0.1368
Brugia malayi Immunoglobulin I-set domain containing protein 0.0295 0.6345 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.023 0.349 0.4264
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.023 0.349 0.5501
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0181 0.1368 0.1368
Schistosoma mansoni cell adhesion molecule 0.023 0.349 0.4122
Loa Loa (eye worm) projectin 0.0181 0.1368 0.2156
Echinococcus granulosus Down syndrome cell adhesion molecule 0.0194 0.1958 0.1958
Loa Loa (eye worm) hypothetical protein 0.0181 0.1368 0.2156
Schistosoma mansoni hemicentin 0.0181 0.1368 0.1616
Loa Loa (eye worm) hypothetical protein 0.0198 0.2122 0.3345
Loa Loa (eye worm) hypothetical protein 0.0181 0.1368 0.2156
Echinococcus multilocularis roundabout 2 0.023 0.349 0.349
Echinococcus granulosus neuroglian 0.0185 0.1533 0.1533
Echinococcus multilocularis neuroglian 0.023 0.349 0.349
Schistosoma mansoni cell adhesion molecule 0.0181 0.1368 0.1616
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.023 0.349 0.349
Echinococcus granulosus roundabout 2 0.023 0.349 0.349
Schistosoma mansoni titin 0.0181 0.1368 0.1616
Echinococcus multilocularis transfer RNA-Phe 0.0181 0.1368 0.1368
Schistosoma mansoni titin 0.0181 0.1368 0.1616
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.023 0.349 0.5501
Echinococcus multilocularis roundabout 2 0.023 0.349 0.349
Echinococcus multilocularis Down syndrome cell adhesion molecule 0.0194 0.1958 0.1958
Schistosoma mansoni cell adhesion molecule 0.023 0.349 0.4122
Schistosoma mansoni cell adhesion molecule 0.0181 0.1368 0.1616
Loa Loa (eye worm) hypothetical protein 0.0295 0.6345 1
Schistosoma mansoni ephrin receptor 0.0188 0.1701 0.2009
Echinococcus multilocularis contactin neuroglian septate junction protein 0.023 0.349 0.349
Schistosoma mansoni nephrin 0.033 0.7878 0.9304
Brugia malayi Fibronectin type III domain containing protein 0.0295 0.6345 1
Echinococcus granulosus twitchin 0.0185 0.1533 0.1533
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0181 0.1368 0.2156
Loa Loa (eye worm) hypothetical protein 0.0295 0.6345 1
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0198 0.2122 0.2122
Schistosoma mansoni cell adhesion molecule 0.0344 0.8467 1
Echinococcus multilocularis titin 0.0181 0.1368 0.1368
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0181 0.1368 0.2156
Onchocerca volvulus 0.0181 0.1368 0.5
Schistosoma mansoni neuroglian 0.023 0.349 0.4122
Loa Loa (eye worm) hypothetical protein 0.0233 0.3655 0.576
Brugia malayi Immunoglobulin I-set domain containing protein 0.0241 0.3988 0.5264
Echinococcus granulosus contactin 0.023 0.349 0.349
Schistosoma mansoni serine/threonine protein kinase 0.0181 0.1368 0.1616
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0181 0.1368 0.2156
Schistosoma mansoni nephrin 0.023 0.349 0.4122
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.023 0.349 0.349
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0188 0.1701 0.1701
Brugia malayi hypothetical protein 0.0295 0.6345 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 4.975 Cytotoxicity against mouse L1210 cells after 65 hrs by MTS/PES microculture tetrazolium assay ChEMBL. 21536434

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23 21536434

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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