Detailed information for compound 1653972

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 248.322 | Formula: C17H16N2
  • H donors: 0 H acceptors: 1 LogP: 3.82 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(c1ccc(cc1)/C(=C/c1ccccc1)/C#N)C
  • InChi: 1S/C17H16N2/c1-19(2)17-10-8-15(9-11-17)16(13-18)12-14-6-4-3-5-7-14/h3-12H,1-2H3/b16-12+
  • InChiKey: VIPAHHKUKYJKEV-FOWTUZBSSA-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
Schistosoma mansoni hypothetical protein 0.0079 0.1811 0.2603
Schistosoma mansoni calcium-activated potassium channel 0.0159 0.5228 0.7515
Onchocerca volvulus 0.0042 0.0249 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.0249 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0666 0.0957
Loa Loa (eye worm) hypothetical protein 0.0042 0.0249 0.0477
Echinococcus granulosus geminin 0.02 0.6956 1
Leishmania major hypothetical protein, conserved 0.0042 0.0249 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.0249 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0116 0.3371 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0052 0.0666 0.1975
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0042 0.0249 0.0739
Echinococcus multilocularis beta LACTamase domain containing family member 0.0042 0.0249 0.0358
Mycobacterium ulcerans lipase LipD 0.0042 0.0249 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0666 0.0957
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0249 0.0358
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0249 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.0249 0.0477
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0116 0.3371 0.6448
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0249 0.0358
Loa Loa (eye worm) hypothetical protein 0.0042 0.0249 0.0477
Brugia malayi beta-lactamase 0.0042 0.0249 0.0739
Brugia malayi latrophilin 2 splice variant baaae 0.0079 0.1811 0.5371
Loa Loa (eye worm) hypothetical protein 0.0159 0.5228 1
Trypanosoma brucei hypothetical protein, conserved 0.0042 0.0249 0.5
Toxoplasma gondii ABC1 family protein 0.0042 0.0249 0.5
Onchocerca volvulus 0.0042 0.0249 0.5
Onchocerca volvulus 0.0042 0.0249 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.0042 0.0249 0.0358
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0666 0.0957
Mycobacterium ulcerans beta-lactamase 0.0042 0.0249 0.5
Mycobacterium ulcerans esterase/lipase LipP 0.0042 0.0249 0.5
Mycobacterium ulcerans hypothetical protein 0.0042 0.0249 0.5
Echinococcus multilocularis geminin 0.02 0.6956 1
Brugia malayi beta-lactamase family protein 0.0042 0.0249 0.0739
Mycobacterium leprae conserved hypothetical protein 0.0042 0.0249 0.5
Schistosoma mansoni hypothetical protein 0.02 0.6956 1
Schistosoma mansoni hypothetical protein 0.0159 0.5228 0.7515
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0666 0.0957
Loa Loa (eye worm) hypothetical protein 0.0042 0.0249 0.0477
Brugia malayi Calcitonin receptor-like protein seb-1 0.0116 0.3371 1
Schistosoma mansoni calcium-activated potassium channel 0.0151 0.4897 0.704
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0249 0.5
Brugia malayi beta-lactamase family protein 0.0042 0.0249 0.0739
Schistosoma mansoni hypothetical protein 0.02 0.6956 1
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0249 0.5
Trichomonas vaginalis esterase, putative 0.0042 0.0249 0.5
Loa Loa (eye worm) hypothetical protein 0.0116 0.3371 0.6448
Echinococcus granulosus small conductance calcium activated potassium 0.0159 0.5228 0.7515
Loa Loa (eye worm) hypothetical protein 0.0042 0.0249 0.0477
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0666 0.0957
Loa Loa (eye worm) hypothetical protein 0.0042 0.0249 0.0477
Loa Loa (eye worm) hypothetical protein 0.008 0.1843 0.3525
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0666 0.0957
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0052 0.0666 0.1273
Mycobacterium leprae Probable lipase LipE 0.0042 0.0249 0.5
Loa Loa (eye worm) hypothetical protein 0.0072 0.1494 0.2857
Loa Loa (eye worm) hypothetical protein 0.0079 0.1811 0.3464
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0249 0.5
Plasmodium vivax hypothetical protein, conserved 0.0042 0.0249 0.5
Loa Loa (eye worm) beta-lactamase 0.0042 0.0249 0.0477
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0249 0.5
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0042 0.0249 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0666 0.0957
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0042 0.0249 0.0477
Echinococcus multilocularis small conductance calcium activated potassium 0.0159 0.5228 0.7515

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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