Detailed information for compound 1821240

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 232.196 | Formula: C10H8N4O3
  • H donors: 2 H acceptors: 4 LogP: -0.33 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1NC(=O)C(C(=O)N1)/C=N/c1ccccn1
  • InChi: 1S/C10H8N4O3/c15-8-6(9(16)14-10(17)13-8)5-12-7-3-1-2-4-11-7/h1-6H,(H2,13,14,15,16,17)/b12-5+
  • InChiKey: QTYMVBBHCBINBQ-LFYBBSHMSA-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 Phosphatidylinositol 3- and 4-kinase family protein 0.0021 0.0043 0.0057
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0016 0.0013 0.0026
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0016 0.0013 0.0026
Schistosoma mansoni hypothetical protein 0.0078 0.0351 0.0599
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0021 0.0043 0.0082
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0029 0.0086 0.0165
Trypanosoma cruzi target of rapamycin kinase 3 0.0021 0.0043 0.0057
Echinococcus granulosus geminin 0.0198 0.1003 0.1864
Trichomonas vaginalis alpha-glucosidase, putative 0.0042 0.0157 0.0303
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0971 0.5196 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0042 0.0157 0.0303
Echinococcus granulosus mitogen activated protein kinase 3 0.0971 0.5196 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0971 0.5196 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0114 0.0547 0.103
Loa Loa (eye worm) MH2 domain-containing protein 0.014 0.0686 0.1319
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0206 0.0316
Entamoeba histolytica hypothetical protein 0.004 0.0146 0.9238
Loa Loa (eye worm) hypothetical protein 0.0114 0.0547 0.1053
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0206 0.0316
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0146 0.0201
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0042 0.0157 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0042 0.0157 0.0115
Schistosoma mansoni mucolipin 0.007 0.0307 0.0513
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0043 0.0082
Echinococcus multilocularis mucolipin 3 0.0076 0.0342 0.03
Entamoeba histolytica hypothetical protein 0.004 0.0146 0.9238
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0042 0.0157 0.0303
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0021 0.0043 0.0057
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0191 0.0962 0.1851
Entamoeba histolytica hypothetical protein 0.004 0.0146 0.9238
Brugia malayi Glycosyl hydrolases family 31 protein 0.0042 0.0157 0.0278
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0021 0.0043 0.0057
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0025 0.0063 0.0097
Schistosoma mansoni alpha-glucosidase 0.0164 0.0818 0.1504
Trichomonas vaginalis alpha-glucosidase, putative 0.0042 0.0157 0.0303
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0043 0.0082
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0206 0.0316
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0043 0.0082
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0036 0.0124 0.0157
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0042 0.0157 1
Brugia malayi hypothetical protein 0.004 0.0146 0.0257
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0043 0.0082
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0021 0.0043 0.0082
Loa Loa (eye worm) latrophilin receptor protein 2 0.0036 0.0124 0.0238
Entamoeba histolytica hypothetical protein 0.0029 0.0086 0.5014
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0043 0.0082
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0042 0.0157 0.0303
Trichomonas vaginalis maltase-glucoamylase, putative 0.0042 0.0157 0.0303
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0971 0.5196 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0043 0.0082
Loa Loa (eye worm) phosphatidylinositol 3 0.0021 0.0043 0.0082
Trichomonas vaginalis CMGC family protein kinase 0.0971 0.5196 1
Trypanosoma brucei glycosyl hydrolase-like protein 0.0016 0.0013 0.0026
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0146 0.0104
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.0013 0.0026
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0021 0.0043 0.0057
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0114 0.0547 0.1053
Loa Loa (eye worm) cytochrome P450 family protein 0.0051 0.0203 0.039
Toxoplasma gondii target of rapamycin (TOR), putative 0.0021 0.0043 0.0082
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0021 0.0043 0.0057
Brugia malayi latrophilin 2 splice variant baaae 0.0078 0.0351 0.0652
Trichomonas vaginalis alpha-glucosidase, putative 0.0042 0.0157 0.0303
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0021 0.0043 0.0057
Trichomonas vaginalis CMGC family protein kinase 0.0971 0.5196 1
Schistosoma mansoni hypothetical protein 0.0054 0.0221 0.0346
Echinococcus multilocularis mitogen activated protein kinase 3 0.0971 0.5196 0.5176
Giardia lamblia Kinase, CMGC MAPK 0.0971 0.5196 1
Brugia malayi Coelomocyte uptake defective protein 5 0.0076 0.0342 0.0634
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0157 0.0278
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0971 0.5196 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.0013 0.0026
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0206 0.0164
Echinococcus multilocularis lysosomal alpha glucosidase 0.0191 0.0962 0.0923
Onchocerca volvulus 0.0054 0.0221 0.4047
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0021 0.0043 0.0082
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0971 0.5196 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0043 0.0082
Schistosoma mansoni hypothetical protein 0.0036 0.0124 0.0157
Echinococcus multilocularis neuropeptide receptor A26 0.0518 0.2736 0.2705
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0042 0.0157 0.0303
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0029 0.0086 0.0139
Brugia malayi Calcitonin receptor-like protein seb-1 0.0114 0.0547 0.103
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0086 0.0165
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0021 0.0043 0.0082
Schistosoma mansoni mucolipin 0.0076 0.0342 0.058
Echinococcus multilocularis neuropeptide s receptor 0.0518 0.2736 0.2705
Brugia malayi hypothetical protein 0.0265 0.1364 0.2606
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0043 0.0082
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0054 0.0221 0.04
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0206 0.0316
Brugia malayi Cytochrome P450 family protein 0.0051 0.0203 0.0365
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0043 0.0082
Loa Loa (eye worm) phosphatidylinositol 3 0.0021 0.0043 0.0082
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0043 0.0082
Schistosoma mansoni hypothetical protein 0.0036 0.0124 0.0157
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0043 0.0082
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0021 0.0043 0.2036
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0036 0.0124 0.0213
Brugia malayi Glycosyl hydrolases family 31 protein 0.0191 0.0962 0.183
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0043 0.0082
Schistosoma mansoni hypothetical protein 0.0036 0.0124 0.0157
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.0013 0.0026
Echinococcus multilocularis survival motor neuron protein 1 0.0265 0.1364 0.1327
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0146 0.0201
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0043 0.0082
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.0206 0.0396
Trichomonas vaginalis alpha-glucosidase, putative 0.0042 0.0157 0.0303
Echinococcus multilocularis lysosomal alpha glucosidase 0.0191 0.0962 0.0923
Brugia malayi MAP kinase sur-1 0.0971 0.5196 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0029 0.0086 0.0139
Echinococcus granulosus GPCR family 2 0.0036 0.0124 0.0157
Schistosoma mansoni serine/threonine protein kinase 0.0971 0.5196 1
Brugia malayi Latrophilin receptor protein 2 0.0036 0.0124 0.0213
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0043 0.0082
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0043 0.0082
Echinococcus multilocularis serine protein kinase ATM 0.0029 0.0086 0.0043
Onchocerca volvulus 0.011 0.0526 1
Schistosoma mansoni hypothetical protein 0.0036 0.0124 0.0157
Trichomonas vaginalis maltase-glucoamylase, putative 0.0016 0.0013 0.0026
Trichomonas vaginalis CMGC family protein kinase 0.0971 0.5196 1
Schistosoma mansoni hypothetical protein 0.0198 0.1003 0.1864
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0043 0.0082
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0021 0.0043 0.0057
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0043 0.0082
Schistosoma mansoni alpha-glucosidase 0.0164 0.0818 0.1504
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0029 0.0086 0.0083
Loa Loa (eye worm) hypothetical protein 0.0036 0.0124 0.0238
Schistosoma mansoni hypothetical protein 0.0198 0.1003 0.1864
Loa Loa (eye worm) hypothetical protein 0.0016 0.0013 0.0026
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0021 0.0043 0.0057
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0021 0.0043 0.2036
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0043 0.0082
Schistosoma mansoni hypothetical protein 0.004 0.0146 0.0201
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0036 0.0124 0.0157
Trypanosoma brucei glucosidase, putative 0.0042 0.0157 0.0303
Loa Loa (eye worm) hypothetical protein 0.0078 0.0351 0.0676
Loa Loa (eye worm) mucolipin 1 0.0076 0.0342 0.0658
Schistosoma mansoni alpha glucosidase 0.0042 0.0157 0.0223
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0971 0.5196 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0042 0.0157 0.0303
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0021 0.0043 0.0082
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.0013 0.0026
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0043 0.0082
Echinococcus multilocularis mitogen activated protein kinase 0.0971 0.5196 0.5176
Loa Loa (eye worm) hypothetical protein 0.0265 0.1364 0.2625
Echinococcus granulosus mitogen activated protein kinase 0.0971 0.5196 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0036 0.0124 0.0081
Leishmania major phosphatidylinositol kinase related protein, putative 0.0021 0.0043 0.0057
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0157 0.0278
Echinococcus granulosus neuropeptide s receptor 0.0518 0.2736 0.5227
Leishmania major phosphatidylinositol 3-kinase, putative 0.0021 0.0043 0.0057
Echinococcus granulosus neuropeptide receptor A26 0.0518 0.2736 0.5227
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0206 0.0164
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0043 0.0082
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0043 0.0082
Trichomonas vaginalis CMGC family protein kinase 0.0971 0.5196 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.0206 0.0371
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0043 0.0082
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0021 0.0043 0.0057
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0043 0.0082
Echinococcus multilocularis GPCR, family 2 0.0036 0.0124 0.0081
Entamoeba histolytica hypothetical protein 0.004 0.0146 0.9238
Echinococcus granulosus mucolipin 3 0.0076 0.0342 0.058
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0971 0.5196 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0043 0.0082
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0043 0.0082
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0043 0.0082
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0043 0.0082
Loa Loa (eye worm) transcription factor SMAD2 0.014 0.0686 0.1319
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.0013 0.0026
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0043 0.0082
Toxoplasma gondii FATC domain-containing protein 0.0029 0.0086 0.0165
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0021 0.0043 0.0057
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0043 0.0082
Echinococcus granulosus survival motor neuron protein 1 0.0265 0.1364 0.2564
Echinococcus granulosus neutral alpha glucosidase AB 0.0042 0.0157 0.0223
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0206 0.0316
Leishmania major alpha glucosidase II subunit, putative 0.0042 0.0157 0.0278
Schistosoma mansoni survival motor neuron protein 0.0054 0.0221 0.0346
Loa Loa (eye worm) hypothetical protein 0.0025 0.0063 0.0122
Trichomonas vaginalis sucrase-isomaltase, putative 0.0042 0.0157 0.0303
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0036 0.0124 0.0081
Trypanosoma brucei protein kinase, putative 0.0971 0.5196 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0971 0.5196 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0191 0.0962 0.1784
Echinococcus granulosus serine protein kinase ATM 0.0029 0.0086 0.0083
Brugia malayi MH2 domain containing protein 0.014 0.0686 0.1297
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0971 0.5196 1
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0021 0.0043 0.0057
Echinococcus multilocularis geminin 0.0198 0.1003 0.0965

Activities

Activity type Activity value Assay description Source Reference
MIC80 (functional) Antifungal activity against Candida albicans ATCC 10231 after 48 to 72 hrs by broth microdilution method ChEMBL. 24361188

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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