Detailed information for compound 1791678

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 336.173 | Formula: C15H11Cl2N3O2
  • H donors: 1 H acceptors: 2 LogP: 4.41 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)Cl)C1NN=C(C1)c1ccc(cc1)[N+](=O)[O-]
  • InChi: 1S/C15H11Cl2N3O2/c16-10-3-6-12(13(17)7-10)15-8-14(18-19-15)9-1-4-11(5-2-9)20(21)22/h1-7,15,19H,8H2
  • InChiKey: DJCPDORTSQVIER-UHFFFAOYSA-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 hypothetical protein 0.012 0.0972 0.1901
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0081 0.0516 0.087
Brugia malayi Receptor family ligand binding region containing protein 0.0098 0.0712 0.1391
Brugia malayi mbt repeat family protein 0.048 0.5115 1
Echinococcus granulosus geminin 0.0184 0.1706 0.2876
Loa Loa (eye worm) hypothetical protein 0.0255 0.2523 0.4932
Schistosoma mansoni hypothetical protein 0.0184 0.1706 0.1706
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0255 0.2523 0.4932
Loa Loa (eye worm) mbt repeat family protein 0.029 0.2931 0.573
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0081 0.0516 0.101
Loa Loa (eye worm) hypothetical protein 0.048 0.5115 1
Echinococcus granulosus lysine specific demethylase 5A 0.0098 0.0713 0.1201
Echinococcus granulosus polycomb protein SCMH1 0.0279 0.2801 0.472
Loa Loa (eye worm) hypothetical protein 0.012 0.0972 0.1901
Echinococcus multilocularis GPCR, family 3, C terminal 0.0062 0.0299 0.0504
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.048 0.5115 1
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.012 0.0968 0.1631
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0551 0.5933 1
Loa Loa (eye worm) hypothetical protein 0.0469 0.4985 0.9745
Echinococcus granulosus tumor suppressor p53 binding protein 1 0.0343 0.3545 0.5974
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0081 0.0516 0.087
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0433 0.4572 0.4572
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0062 0.0299 0.0585
Entamoeba histolytica hypothetical protein 0.0039 0.0033 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0081 0.0516 0.087
Trichomonas vaginalis glutaminase, putative 0.0286 0.2883 0.5
Loa Loa (eye worm) glutamate receptor 0.015 0.1312 0.2566
Echinococcus multilocularis histone acetyltransferase myst3 0.0043 0.008 0.0135
Echinococcus granulosus GPCR family 3 C terminal 0.0062 0.0299 0.0504
Entamoeba histolytica hypothetical protein 0.0039 0.0033 1
Brugia malayi latrophilin 2 splice variant baaae 0.0174 0.1594 0.3117
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.01 0.074 0.1447
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0319 0.326 0.5494
Schistosoma mansoni hypothetical protein 0.0081 0.0516 0.0516
Echinococcus multilocularis tumor suppressor p53 binding protein 1 0.0343 0.3545 0.5974
Schistosoma mansoni glutaminase 0.0286 0.2883 0.2883
Echinococcus multilocularis SAM and MBT domain containing protein 0.0404 0.4241 0.7147
Leishmania major extracellular receptor, putative 0.0036 0 0.5
Schistosoma mansoni metabotropic glutamate receptor 0.0319 0.326 0.326
Schistosoma mansoni hypothetical protein 0.0184 0.1706 0.1706
Brugia malayi mbt repeat family protein 0.029 0.2931 0.573
Echinococcus granulosus histone acetyltransferase MYST2 0.0101 0.0746 0.1258
Echinococcus multilocularis geminin 0.0184 0.1706 0.2876
Schistosoma mansoni myelin transcription factor 1 myt1 0.0101 0.0746 0.0746
Brugia malayi metabotropic glutamate receptor type 2 0.0185 0.1725 0.3371
Echinococcus granulosus metabotropic glutamate receptor 2 0.0319 0.326 0.5494
Onchocerca volvulus 0.0317 0.3236 0.6326
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0101 0.0746 0.1258
Echinococcus granulosus chromobox protein 2 0.0207 0.1971 0.3321
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0551 0.5933 1
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.012 0.0968 0.1631
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0469 0.4985 0.8401
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0033 0.0055
Entamoeba histolytica hypothetical protein 0.0039 0.0033 1
Loa Loa (eye worm) hypothetical protein 0.012 0.0972 0.1901
Onchocerca volvulus Huntingtin homolog 0.012 0.0972 0.1901
Loa Loa (eye worm) hypothetical protein 0.0101 0.0746 0.1459
Loa Loa (eye worm) MBCTL1 0.0101 0.0746 0.1459
Toxoplasma gondii PLU-1 family protein 0.0046 0.0119 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0033 0.0055
Loa Loa (eye worm) hypothetical protein 0.0062 0.0299 0.0585
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0101 0.0746 0.1459
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.01 0.074 0.074
Schistosoma mansoni sex comb on midleg homolog 0.0279 0.2801 0.2801
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.0062 0.0299 0.0585
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0337 0.0337
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0098 0.0712 0.1391
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0337 0.0337
Mycobacterium ulcerans glutaminase 0.0286 0.2883 0.5
Schistosoma mansoni hypothetical protein 0.0062 0.0299 0.0299
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.01 0.074 0.1247
Brugia malayi Latrophilin receptor protein 2 0.0081 0.0516 0.101
Schistosoma mansoni metabotropic glutamate receptor 0.0185 0.1725 0.1725
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0255 0.2523 0.4932
Echinococcus multilocularis lysine specific demethylase 5A 0.0081 0.0525 0.0885
Echinococcus multilocularis tar DNA binding protein 0.0065 0.0337 0.0568
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.01 0.074 0.074
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0033 0.0033
Trypanosoma cruzi extracellular receptor, putative 0.0036 0 0.5
Echinococcus multilocularis histone acetyltransferase MYST2 0.0101 0.0746 0.1258
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.01 0.074 0.1247
Loa Loa (eye worm) transcription factor SMAD2 0.0121 0.0983 0.1921
Loa Loa (eye worm) glutaminase 0.0286 0.2883 0.5637
Brugia malayi RNA binding protein 0.0065 0.0337 0.0658
Schistosoma mansoni hypothetical protein 0.0039 0.0033 0.0033
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0345 0.3559 0.6958
Schistosoma mansoni hypothetical protein 0.0174 0.1594 0.1594
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0337 0.0337
Brugia malayi jmjC domain containing protein 0.0144 0.1244 0.2432
Echinococcus granulosus metabotropic glutamate receptor 5 0.0469 0.4985 0.8401
Loa Loa (eye worm) latrophilin receptor protein 2 0.0081 0.0516 0.101
Echinococcus granulosus GPCR family 2 0.0081 0.0516 0.087
Schistosoma mansoni hypothetical protein 0.0343 0.3545 0.3545
Loa Loa (eye worm) hypothetical protein 0.0174 0.1594 0.3117
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0101 0.0746 0.1258
Loa Loa (eye worm) MH2 domain-containing protein 0.0121 0.0983 0.1921
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0337 0.0337
Loa Loa (eye worm) hypothetical protein 0.0098 0.0712 0.1391
Echinococcus multilocularis polycomb protein SCMH1 0.0279 0.2801 0.472
Echinococcus multilocularis chromobox protein 2 0.0207 0.1971 0.3321
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.01 0.074 0.1247
Loa Loa (eye worm) hypothetical protein 0.0081 0.0516 0.101
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.0337 0.0658
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.01 0.074 0.1247
Onchocerca volvulus Poor gastrulation protein homolog 0.0062 0.0299 0.0585
Echinococcus granulosus tar DNA binding protein 0.0065 0.0337 0.0568
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0404 0.4241 0.4241
Entamoeba histolytica hypothetical protein 0.0039 0.0033 1
Loa Loa (eye worm) TAR-binding protein 0.0065 0.0337 0.0658
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.01 0.074 0.074
Brugia malayi glutaminase DH11.1 0.0286 0.2883 0.5637
Schistosoma mansoni jumonji/arid domain-containing protein 0.0098 0.0713 0.0713
Loa Loa (eye worm) jmjC domain-containing protein 0.0144 0.1244 0.2432
Brugia malayi Calcitonin receptor-like protein seb-1 0.0255 0.2523 0.4932
Loa Loa (eye worm) RNA binding protein 0.0065 0.0337 0.0658
Echinococcus granulosus histone acetyltransferase myst3 0.0043 0.008 0.0135
Schistosoma mansoni jumonji/arid domain-containing protein 0.0098 0.0713 0.0713
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.0337 0.0658
Schistosoma mansoni hypothetical protein 0.0081 0.0516 0.0516
Schistosoma mansoni chromobox protein 0.0207 0.1971 0.1971
Brugia malayi Metabotropic glutamate receptor precursor. 0.0381 0.3972 0.7764
Brugia malayi hypothetical protein 0.0039 0.0033 0.0064
Schistosoma mansoni hypothetical protein 0.0081 0.0516 0.0516
Schistosoma mansoni phd finger protein 0.0043 0.008 0.008
Loa Loa (eye worm) glutaminase 2 0.0286 0.2883 0.5637
Schistosoma mansoni hypothetical protein 0.0081 0.0516 0.0516
Loa Loa (eye worm) glutamate receptor 0.0381 0.3972 0.7764
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0337 0.0337
Schistosoma mansoni sex comb on midleg homolog 0.0279 0.2801 0.2801
Onchocerca volvulus Huntingtin homolog 0.012 0.0972 0.1901
Echinococcus multilocularis GPCR, family 2 0.0081 0.0516 0.087
Echinococcus granulosus SAM and MBT domain containing protein 0.0404 0.4241 0.7147
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0081 0.0516 0.087
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0098 0.0712 0.1391
Brugia malayi TAR-binding protein 0.0065 0.0337 0.0658
Brugia malayi MH2 domain containing protein 0.0121 0.0983 0.1921
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.01 0.074 0.1447

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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