Detailed information for compound 946194

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 220.268 | Formula: C12H16N2O2
  • H donors: 2 H acceptors: 2 LogP: 3.1 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(c1ccccc1)CN/N=C(/C(=O)O)\C
  • InChi: 1S/C12H16N2O2/c1-9(11-6-4-3-5-7-11)8-13-14-10(2)12(15)16/h3-7,9,13H,8H2,1-2H3,(H,15,16)/b14-10+
  • InChiKey: BICIJNIFNFRXNR-GXDHUFHOSA-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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0034 0.0038 0.0038
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0085 0.0101 0.0101
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0085 0.0101 0.0101
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0118 0.0142 0.0363
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.8063 1 1
Brugia malayi Eukaryotic aspartyl protease family protein 0.0085 0.0101 0.0101
Echinococcus granulosus voltage gated potassium channel 0.0005 0.0002 0.0005
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0118 0.0142 1
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0085 0.0101 0.7116
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.8063 1 1
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.8063 1 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0005 0.0002 0.0002
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0034 0.0038 0.0038
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0034 0.0038 0.0038
Schistosoma mansoni amine GPCR 0.0086 0.0102 0.0102
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0019 0.0019 0.1313
Echinococcus multilocularis voltage gated potassium channel 0.0005 0.0002 0.0005
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0034 0.0038 0.2699
Schistosoma mansoni memapsin-2 (A01 family) 0.187 0.2316 0.2316
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0118 0.0142 0.0142
Loa Loa (eye worm) hypothetical protein 0.0005 0.0002 0.015
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.8063 1 0.5
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0085 0.0101 0.0101
Toxoplasma gondii aspartyl protease ASP1 0.0118 0.0142 0.0041
Brugia malayi hypothetical protein 0.0085 0.0101 0.0101
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.3148 0.3902 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0019 0.0019 0.0048
Plasmodium falciparum plasmepsin VI 0.0118 0.0142 0.0041
Loa Loa (eye worm) hypothetical protein 0.0085 0.0101 0.7116
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0118 0.0142 0.0363
Schistosoma mansoni voltage-gated potassium channel 0.0005 0.0002 0.0002
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0085 0.0101 0.0101
Plasmodium falciparum plasmepsin II 0.0118 0.0142 0.0041
Loa Loa (eye worm) hypothetical protein 0.0118 0.0142 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.3148 0.3902 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0019 0.0019 0.0019
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.3148 0.3902 1
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0118 0.0142 0.0363
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0019 0.0019 0.0048
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0034 0.0038 0.0098
Brugia malayi aspartic protease BmAsp-2, identical 0.0085 0.0101 0.0101
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.3148 0.3902 1
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.8063 1 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0085 0.0101 0.0101
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.8063 1 1
Onchocerca volvulus 0.0085 0.0101 0.5
Brugia malayi hypothetical protein 0.0085 0.0101 0.0101
Brugia malayi aspartic protease BmAsp-1, identical 0.0085 0.0101 0.0101
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0005 0.0002 0.0005
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0034 0.0038 0.0038
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0005 0.0002 0.0002
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.8063 1 1
Loa Loa (eye worm) aspartyl protease 6 0.0085 0.0101 0.7116
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.3148 0.3902 1
Brugia malayi Zinc finger, C2H2 type family protein 0.3148 0.3902 0.3902
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.8063 1 0.5
Schistosoma mansoni cathepsin D (A01 family) 0.0202 0.0246 0.0246
Schistosoma mansoni voltage-gated potassium channel 0.002 0.0021 0.0021
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.8063 1 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.3148 0.3902 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.0101 0.7116
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0034 0.0038 0.0098
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0085 0.0101 0.0101
Plasmodium falciparum plasmepsin I 0.0118 0.0142 0.0041
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.8063 1 0.5
Leishmania major dihydroorotate dehydrogenase 0.8063 1 0.5
Schistosoma mansoni voltage-gated potassium channel 0.002 0.0021 0.0021
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0034 0.0038 0.0098
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0034 0.0038 0.0098
Plasmodium vivax plasmepsin IV, putative 0.0118 0.0142 0.0041
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0005 0.0002 0.0005
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.3148 0.3902 1
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.3148 0.3902 1
Plasmodium falciparum dihydroorotate dehydrogenase 0.8063 1 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0016 0.1097
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0085 0.0101 0.0101
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0017 0.0017 0.0044
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0085 0.0101 0.0101
Brugia malayi Pepsin A precursor 0.0085 0.0101 0.0101
Schistosoma mansoni cathepsin D (A01 family) 0.0202 0.0246 0.0246
Onchocerca volvulus 0.0085 0.0101 0.5
Schistosoma mansoni dihydroorotate dehydrogenase 0.8063 1 1
Plasmodium falciparum plasmepsin IV 0.0118 0.0142 0.0041
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0118 0.0142 0.0041
Plasmodium vivax aspartyl proteinase, putative 0.0118 0.0142 0.0041
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.8063 1 0.5
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.3148 0.3902 0.5
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.3148 0.3902 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0017 0.0017 0.0044
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.3148 0.3902 1

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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