Detailed information for compound 556600

Basic information

Technical information
  • TDR Targets ID: 556600
  • Name: 3-methyl-4-pyrrolidin-1-yl-benzenediazonium; tetrachlorozinc(2-)
  • MW: 583.69 | Formula: C22H28Cl4N6Zn
  • H donors: 0 H acceptors: 0 LogP: 10.32 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 2
  • SMILES: Cl[Zn-2](Cl)(Cl)Cl.N#[N+]c1ccc(c(c1)C)N1CCCC1.N#[N+]c1ccc(c(c1)C)N1CCCC1
  • InChi: 1S/2C11H14N3.4ClH.Zn/c2*1-9-8-10(13-12)4-5-11(9)14-6-2-3-7-14;;;;;/h2*4-5,8H,2-3,6-7H2,1H3;4*1H;/q2*+1;;;;;+2/p-4
  • InChiKey: GQDIZYZEIVCQTE-UHFFFAOYSA-J  


Substructure search Similarity search

Network

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Synonyms

  • 3-methyl-4-(1-pyrrolidinyl)benzenediazonium; tetrachlorozinc(2-)
  • 3-methyl-4-pyrrolidino-benzenediazonium; tetrachlorozinc(2-)
  • 3-methyl-4-pyrrolidin-1-ylbenzenediazonium; tetrachlorozinc(2-)
  • 4-diazo-2-methylpyrrolidinobenzene zinc chloride

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
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0225 0.6149 0.8888
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0107 0.2694 0.2665
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0152 0.4022 0.5789
Loa Loa (eye worm) hypothetical protein 0.0072 0.1642 0.2373
Brugia malayi Latrophilin receptor protein 2 0.0048 0.0956 0.1332
Brugia malayi glutathione reductase 0.0037 0.0626 0.0854
Echinococcus granulosus metabotropic glutamate receptor 5 0.0049 0.0988 0.0952
Brugia malayi Thioredoxin reductase 0.0037 0.0626 0.0854
Plasmodium vivax thioredoxin reductase, putative 0.0037 0.0626 0.5
Schistosoma mansoni hypothetical protein 0.0104 0.2603 0.2574
Brugia malayi Calcitonin receptor-like protein seb-1 0.0152 0.4022 0.5789
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0046 0.0877 0.0841
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0107 0.2694 0.2665
Loa Loa (eye worm) hypothetical protein 0.0049 0.0988 0.1428
Plasmodium falciparum thioredoxin reductase 0.0037 0.0626 0.5
Brugia malayi Metabotropic glutamate receptor precursor. 0.004 0.0715 0.0983
Echinococcus multilocularis GPCR, family 2 0.0048 0.0956 0.092
Loa Loa (eye worm) MH2 domain-containing protein 0.0251 0.6919 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.014 0.3646 0.3621
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.0956 0.1332
Loa Loa (eye worm) thioredoxin reductase 0.0037 0.0626 0.0905
Brugia malayi follicle stimulating hormone receptor 0.0225 0.6149 0.8881
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.0956 0.092
Toxoplasma gondii melibiase subfamily protein 0.0107 0.2694 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.0956 0.092
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.014 0.3646 0.3621
Schistosoma mansoni hypothetical protein 0.0048 0.0956 0.092
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0085 0.2023 0.8342
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0085 0.2023 0.8342
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0107 0.2694 0.2665
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0049 0.0988 0.0952
Schistosoma mansoni hypothetical protein 0.0356 1 1
Loa Loa (eye worm) Smad1 0.0017 0.0039 0.0057
Mycobacterium tuberculosis Probable reductase 0.0085 0.2023 0.8342
Loa Loa (eye worm) hypothetical protein 0.0152 0.4022 0.5813
Loa Loa (eye worm) glutathione reductase 0.0037 0.0626 0.0905
Trypanosoma brucei trypanothione reductase 0.0037 0.0626 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.0956 0.092
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.0956 0.1381
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.014 0.3646 0.5269
Loa Loa (eye worm) MH1 domain-containing protein 0.0017 0.0039 0.0057
Schistosoma mansoni hypothetical protein 0.0048 0.0956 0.092
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0107 0.2694 0.2665
Echinococcus multilocularis geminin 0.0356 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0152 0.4022 0.5813
Loa Loa (eye worm) transcription factor SMAD2 0.0251 0.6919 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.014 0.3646 0.3621
Schistosoma mansoni hypothetical protein 0.0048 0.0956 0.092
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0085 0.2023 0.8342
Brugia malayi latrophilin 2 splice variant baaae 0.0104 0.2603 0.3726
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0072 0.1642 0.1609
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0036 0.0604 0.0822
Loa Loa (eye worm) glutamate receptor 0.004 0.0715 0.1034
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.0956 0.092
Schistosoma mansoni metabotropic glutamate receptor 0.0034 0.0524 0.0487
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0072 0.1642 0.1609
Plasmodium falciparum glutathione reductase 0.0037 0.0626 0.5
Echinococcus multilocularis thioredoxin glutathione reductase 0.0038 0.0641 0.0604
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0107 0.2694 0.2665
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.014 0.3646 0.3621
Echinococcus granulosus metabotropic glutamate receptor 2 0.0034 0.0524 0.0487
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0094 0.2301 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0038 0.0641 0.0604
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0094 0.2301 1
Brugia malayi Melibiase family protein 0.0072 0.1642 0.233
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0094 0.2301 1
Loa Loa (eye worm) hypothetical protein 0.0104 0.2603 0.3762
Schistosoma mansoni metabotropic glutamate receptor 0.002 0.0111 0.0072
Leishmania major trypanothione reductase 0.0037 0.0626 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.0956 0.1381
Echinococcus granulosus GPCR family 2 0.0048 0.0956 0.092
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0034 0.0524 0.0487
Mycobacterium tuberculosis Probable dehydrogenase 0.0085 0.2023 0.8342
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0107 0.2694 0.2665
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.014 0.3646 0.3621
Brugia malayi MH2 domain containing protein 0.0251 0.6919 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.014 0.3646 0.5243
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0072 0.1642 0.5
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0107 0.2694 0.2665
Trypanosoma cruzi trypanothione reductase, putative 0.0037 0.0626 0.5
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0085 0.2023 0.8342
Plasmodium vivax glutathione reductase, putative 0.0037 0.0626 0.5
Schistosoma mansoni hypothetical protein 0.0048 0.0956 0.092
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.014 0.3646 0.3621
Mycobacterium tuberculosis Probable oxidoreductase 0.0094 0.2301 1
Brugia malayi metabotropic glutamate receptor type 2 0.002 0.0111 0.0104
Loa Loa (eye worm) MH2 domain-containing protein 0.0017 0.0039 0.0057
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.014 0.3646 0.3621
Schistosoma mansoni hypothetical protein 0.0356 1 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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