Detailed information for compound 1660349

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 263.721 | Formula: C10H18ClN3O3
  • H donors: 1 H acceptors: 2 LogP: 1.59 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: ClCCN(C(=O)N[C@@H]1CC[C@@H](CC1)OC)N=O
  • InChi: 1S/C10H18ClN3O3/c1-17-9-4-2-8(3-5-9)12-10(15)14(13-16)7-6-11/h8-9H,2-7H2,1H3,(H,12,15)/t8-,9+
  • InChiKey: OFRJHUDMLXBUDY-DTORHVGOSA-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
Loa Loa (eye worm) hypothetical protein 0.0664 1 1
Schistosoma mansoni adenosylhomocysteinase 0.0084 0.0663 0.0719
Echinococcus multilocularis isocitrate dehydrogenase 0.0071 0.0457 0.0321
Schistosoma mansoni adenosylhomocysteinase 0.0135 0.1492 0.2462
Loa Loa (eye worm) isocitrate dehydrogenase 0.0071 0.0457 0.014
Echinococcus granulosus adenosylhomocysteinase 0.0135 0.1492 0.2462
Brugia malayi Adenosylhomocysteinase 0.0135 0.1492 0.121
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0071 0.0457 0.0321
Schistosoma mansoni adenosylhomocysteinase 0.0084 0.0663 0.0719
Loa Loa (eye worm) adenosylhomocysteinase 0.0135 0.1492 0.121
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0325 0.4545 1
Toxoplasma gondii adenosylhomocysteinase, putative 0.0135 0.1492 1
Schistosoma mansoni adenosylhomocysteinase 0.0084 0.0663 0.0719
Mycobacterium tuberculosis Probable adenosylhomocysteinase SahH (S-adenosyl-L-homocysteine hydrolase) (adohcyase) 0.0135 0.1492 1
Plasmodium vivax adenosylhomocysteinase(S-adenosyl-L-homocystein e hydrolase), putative 0.0135 0.1492 1
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0135 0.1492 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0071 0.0457 0.0321
Schistosoma mansoni adenosylhomocysteinase 0.0084 0.0663 0.0719
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0071 0.0457 0.0321
Echinococcus multilocularis adenosylhomocysteinase 0.0135 0.1492 0.2771
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0071 0.0457 0.0286
Brugia malayi Isocitrate dehydrogenase 0.0071 0.0457 0.014
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0135 0.1492 1
Mycobacterium ulcerans S-adenosyl-L-homocysteine hydrolase 0.0135 0.1492 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0071 0.0457 0.0321
Entamoeba histolytica adenosylhomocysteinase, putative 0.0135 0.1492 0.5
Toxoplasma gondii S-Adenosyl homocysteine hydrolase 0.0135 0.1492 1
Trypanosoma brucei S-adenosylhomocysteine hydrolase, putative 0.0135 0.1492 1
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative 0.0135 0.1492 1
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative 0.0135 0.1492 1
Leishmania major S-adenosylhomocysteine hydrolase 0.0135 0.1492 1
Schistosoma mansoni retinoic acid receptor RXR 0.0358 0.5075 1
Onchocerca volvulus Bile acid receptor homolog 0.0664 1 1
Plasmodium falciparum adenosylhomocysteinase 0.0135 0.1492 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0071 0.0457 0.0286
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0358 0.5075 1
Mycobacterium leprae putative S-adenosyl-L-homocysteine hydrolase SahH 0.0135 0.1492 0.5
Brugia malayi isocitrate dehydrogenase 0.0071 0.0457 0.014

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 20 mg kg-1 Antitumor activity against mouse L1210 cells allografted in ip dosed BDF1 mouse assessed as increase of life span of host measured up to 45 days ChEMBL. 836500
LD10 (ADMET) = 0.819 M kg-1 Toxicity against L-1210 leukemia cells in mice after intraperitoneal administration, activity is expressed as LD10 ChEMBL. 7420354

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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