Detailed information for compound 833305

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 271.318 | Formula: C14H17N5O
  • H donors: 1 H acceptors: 3 LogP: 2.42 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCCNc1nc2ccc(cc2n2c1nnc2)C
  • InChi: 1S/C14H17N5O/c1-10-4-5-11-12(8-10)19-9-16-18-14(19)13(17-11)15-6-3-7-20-2/h4-5,8-9H,3,6-7H2,1-2H3,(H,15,17)
  • InChiKey: CCSHXZLISSDKSC-UHFFFAOYSA-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 granulosus carboxylesterase 5A 0.0066 0.0551 0.1425
Plasmodium falciparum 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0154 0.1639 0.5
Mycobacterium ulcerans hypothetical protein 0.0824 1 1
Mycobacterium leprae PROBABLE CHOLESTEROL DEHYDROGENASE 0.0022 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0154 0.1639 0.1639
Echinococcus multilocularis carboxylesterase 5A 0.0066 0.0551 0.1425
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0154 0.1639 0.1639
Trypanosoma brucei C-14 sterol reductase, putative 0.0052 0.0371 0.0371
Plasmodium vivax polyprenol reductase, putative 0.0154 0.1639 0.5
Loa Loa (eye worm) hypothetical protein 0.0505 0.6026 0.6026
Plasmodium falciparum polyprenol reductase, putative 0.0154 0.1639 0.5
Brugia malayi Carboxylesterase family protein 0.0066 0.0551 0.0551
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0154 0.1639 1
Leishmania major C-14 sterol reductase, putative 0.0052 0.0371 0.0371
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0824 1 1
Loa Loa (eye worm) hypothetical protein 0.0154 0.1639 0.1639
Leishmania major sterol C-24 reductase, putative 0.0052 0.0371 0.0371
Echinococcus granulosus synaptic glycoprotein sc2 0.0154 0.1639 1
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0154 0.1639 0.1639
Trypanosoma cruzi sterol C-24 reductase, putative 0.0052 0.0371 0.0371
Echinococcus granulosus 3 oxo 5 alpha steroid 4 dehydrogenase C terminal 0.0154 0.1639 1
Echinococcus multilocularis synaptic glycoprotein sc2 0.0154 0.1639 1
Giardia lamblia Synaptic glycoprotein SC2 0.0154 0.1639 0.5
Loa Loa (eye worm) hypothetical protein 0.0824 1 1
Trypanosoma cruzi sterol C-24 reductase, putative 0.0052 0.0371 0.0371
Loa Loa (eye worm) hypothetical protein 0.0154 0.1639 0.1639
Echinococcus multilocularis acetylcholinesterase 0.0066 0.0551 0.1425
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0154 0.1639 0.1639
Mycobacterium tuberculosis 3-beta-hydroxysteroid dehydrogenase 0.0022 0 0.5
Echinococcus multilocularis 3 oxo 5 alpha steroid 4 dehydrogenase, C terminal 0.0154 0.1639 1
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0824 1 1
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0824 1 1
Entamoeba histolytica steroid 5-alpha reductase, putative 0.0824 1 1
Trypanosoma cruzi C-14 sterol reductase, putative 0.0052 0.0371 0.0371
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0824 1 1
Leishmania major 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein 0.0824 1 1
Echinococcus granulosus acetylcholinesterase 0.0066 0.0551 0.1425
Plasmodium vivax 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0154 0.1639 0.5
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0154 0.1639 0.1639
Brugia malayi Synaptic glycoprotein SC2 0.0154 0.1639 0.1639
Loa Loa (eye worm) hypothetical protein 0.0066 0.0551 0.0551
Loa Loa (eye worm) hypothetical protein 0.0066 0.0551 0.0551
Trichomonas vaginalis conserved hypothetical protein 0.0154 0.1639 0.1639
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0154 0.1639 0.1639
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0154 0.1639 1
Trypanosoma cruzi C-14 sterol reductase, putative 0.0052 0.0371 0.0371
Echinococcus multilocularis acetylcholinesterase 0.0066 0.0551 0.1425
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0824 1 1
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0824 1 1
Loa Loa (eye worm) carboxylesterase 0.0066 0.0551 0.0551
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0066 0.0551 0.1425
Loa Loa (eye worm) acetylcholinesterase 1 0.0066 0.0551 0.0551
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0154 0.1639 0.1639
Echinococcus granulosus acetylcholinesterase 0.0066 0.0551 0.1425
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative 0.0824 1 1
Onchocerca volvulus 0.0154 0.1639 1
Brugia malayi Carboxylesterase family protein 0.0066 0.0551 0.0551

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.

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