Detailed information for compound 1152846

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 259.304 | Formula: C14H17N3O2
  • H donors: 2 H acceptors: 2 LogP: 2.32 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O/N=C(/c1ccc(cc1)OCCCc1nc[nH]c1)\C
  • InChi: 1S/C14H17N3O2/c1-11(17-18)12-4-6-14(7-5-12)19-8-2-3-13-9-15-10-16-13/h4-7,9-10,18H,2-3,8H2,1H3,(H,15,16)/b17-11+
  • InChiKey: GHADIQOLHLUYIM-GZTJUZNOSA-N  


Substructure search Similarity search

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
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.0562 0.5
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0049 0.2057 0.3039
Trichomonas vaginalis conserved hypothetical protein 0.0049 0.2057 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.2339 0.0355
Schistosoma mansoni tar DNA-binding protein 0.0073 0.3759 0.3818
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0562 1
Plasmodium falciparum acyl-CoA synthetase 0.002 0.0078 0.5
Echinococcus multilocularis Niemann Pick C1 protein 0.0114 0.6592 0.5709
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.2339 0.3471
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0027 0.0562 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0562 0.5
Schistosoma mansoni tar DNA-binding protein 0.0073 0.3759 0.3818
Schistosoma mansoni tar DNA-binding protein 0.0073 0.3759 0.3818
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.2339 0.0355
Loa Loa (eye worm) hypothetical protein 0.0027 0.0562 0.0742
Echinococcus granulosus tar DNA binding protein 0.0073 0.3759 0.2143
Loa Loa (eye worm) hypothetical protein 0.0027 0.0562 0.0742
Echinococcus multilocularis Niemann Pick C1 protein 0.0163 1 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.0562 0.5
Loa Loa (eye worm) hypothetical protein 0.0114 0.6592 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0562 0.0742
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.2339 0.2948
Brugia malayi CHE-14 protein 0.0049 0.2057 0.2481
Brugia malayi RNA recognition motif domain containing protein 0.0073 0.3759 0.5303
Echinococcus granulosus expressed conserved protein 0.0107 0.611 0.5102
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.2339 0.0846
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0027 0.0562 1
Echinococcus granulosus Niemann Pick C1 protein 0.0114 0.6592 0.5709
Schistosoma mansoni patched 1 0.0049 0.2057 0.0257
Plasmodium vivax acyl-CoA synthetase, putative 0.002 0.0078 0.5
Schistosoma mansoni tar DNA-binding protein 0.0073 0.3759 0.3818
Loa Loa (eye worm) RNA binding protein 0.0073 0.3759 0.5652
Onchocerca volvulus 0.0027 0.0562 0.5
Echinococcus multilocularis protein dispatched 1 0.0056 0.2539 0.0606
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.002 0.0078 0.5
Echinococcus multilocularis tar DNA binding protein 0.0073 0.3759 0.2143
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.0562 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0027 0.0562 1
Brugia malayi RNA binding protein 0.0073 0.3759 0.5303
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.2339 0.0355
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0027 0.0562 1
Loa Loa (eye worm) TAR-binding protein 0.0073 0.3759 0.5652
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0562 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0562 1
Echinococcus multilocularis expressed conserved protein 0.0107 0.611 0.5102
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0562 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0027 0.0562 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.2057 0.3039
Brugia malayi Niemann-Pick C1 protein precursor 0.0114 0.6592 1
Loa Loa (eye worm) hypothetical protein 0.006 0.2824 0.4216
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.2339 0.0846
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.2339 0.0846
Schistosoma mansoni tar DNA-binding protein 0.0073 0.3759 0.3818
Brugia malayi TAR-binding protein 0.0073 0.3759 0.5303
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0116 0.6714 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0073 0.3759 0.5652
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0562 0.5
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0114 0.6592 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.002 0.0078 0.139
Mycobacterium ulcerans hypothetical protein 0.0027 0.0562 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.2339 0.0355

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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