Detailed information for compound 18884

Basic information

Technical information
  • TDR Targets ID: 18884
  • Name: 1-N,4-N-bis(3-methoxyphenyl)-3,6-dimethyl-1,2 ,4,5-tetrazine-1,4-dicarboxamide
  • MW: 410.426 | Formula: C20H22N6O4
  • H donors: 2 H acceptors: 4 LogP: 3.3 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)NC(=O)n1nc(C)n(nc1C)C(=O)Nc1cccc(c1)OC
  • InChi: 1S/C20H22N6O4/c1-13-23-26(20(28)22-16-8-6-10-18(12-16)30-4)14(2)24-25(13)19(27)21-15-7-5-9-17(11-15)29-3/h5-12H,1-4H3,(H,21,27)(H,22,28)
  • InChiKey: QNNOAUTVOUJKLH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N1,N4-bis(3-methoxyphenyl)-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide
  • N,N'-bis(3-methoxyphenyl)-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide

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 Calcitonin receptor-like protein seb-1 0.0052 0.0204 0.0204
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0272 0.3546 1
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.0696 1 0.5
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.0696 1 1
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.0696 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0088 0.075 0.1132
Loa Loa (eye worm) RNA binding protein 0.0201 0.2466 0.3722
Echinococcus granulosus Two pore potassium channel protein sup 9 0.0231 0.2921 0.8237
Echinococcus granulosus tar DNA binding protein 0.0201 0.2466 0.6955
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 38. C. elegans sup-9 ortholog 0.0231 0.2921 0.2921
Onchocerca volvulus 0.0474 0.6626 1
Brugia malayi TAR-binding protein 0.0201 0.2466 0.2466
Schistosoma mansoni tar DNA-binding protein 0.0201 0.2466 0.2466
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0175 0.2065 0.3116
Schistosoma mansoni lozenge 0.006 0.0316 0.0316
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0272 0.3546 1
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.0696 1 1
Loa Loa (eye worm) hypothetical protein 0.0231 0.2921 0.4408
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0106 0.0106
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0272 0.3546 0.3546
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0106 0.03
Loa Loa (eye worm) hypothetical protein 0.0474 0.6626 1
Brugia malayi Zinc finger, C2H2 type family protein 0.0272 0.3546 0.3546
Schistosoma mansoni alpha-glucosidase 0.015 0.1695 0.1695
Schistosoma mansoni dihydroorotate dehydrogenase 0.0696 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0106 0.03
Brugia malayi RNA binding protein 0.0201 0.2466 0.2466
Schistosoma mansoni eyes absent homolog 0.0088 0.075 0.075
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0696 1 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0272 0.3546 1
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.0384 0.0384
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0064 0.0384 0.1084
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0272 0.3546 1
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.0696 1 1
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0272 0.3546 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0272 0.3546 1
Leishmania major dihydroorotate dehydrogenase 0.0696 1 1
Schistosoma mansoni tar DNA-binding protein 0.0201 0.2466 0.2466
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0064 0.0384 0.1084
Schistosoma mansoni tar DNA-binding protein 0.0201 0.2466 0.2466
Brugia malayi hypothetical protein 0.0474 0.6626 0.6626
Schistosoma mansoni tar DNA-binding protein 0.0201 0.2466 0.2466
Loa Loa (eye worm) TAR-binding protein 0.0201 0.2466 0.3722
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0696 1 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0204 0.0308
Echinococcus multilocularis tar DNA binding protein 0.0201 0.2466 0.6955
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0272 0.3546 1
Brugia malayi hypothetical protein 0.0088 0.075 0.075
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0272 0.3546 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0272 0.3546 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0204 0.0308
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0106 0.016
Schistosoma mansoni twik family of potassium channels-related 0.0231 0.2921 0.2921
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.0696 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0204 0.0204
Brugia malayi RNA recognition motif domain containing protein 0.0201 0.2466 0.2466
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.0384 0.0384
Loa Loa (eye worm) hypothetical protein 0.0474 0.6626 1
Schistosoma mansoni alpha-glucosidase 0.015 0.1695 0.1695
Plasmodium falciparum dihydroorotate dehydrogenase 0.0696 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0088 0.075 0.1132
Echinococcus granulosus lysosomal alpha glucosidase 0.0175 0.2065 0.5824
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0696 1 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0175 0.2065 0.2065
Loa Loa (eye worm) hypothetical protein 0.0217 0.2709 0.4089
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0106 0.03
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0106 0.03
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0272 0.3546 1
Schistosoma mansoni tar DNA-binding protein 0.0201 0.2466 0.2466
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0106 0.0106
Echinococcus multilocularis Protein lozenge 0.006 0.0316 0.0892
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0696 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0106 0.0106
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0064 0.0384 0.0384
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0106 0.0106
Echinococcus multilocularis lysosomal alpha glucosidase 0.0175 0.2065 0.5824
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0272 0.3546 1
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.0696 1 1
Loa Loa (eye worm) runx1 0.006 0.0316 0.0477
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0201 0.2466 0.3722
Toxoplasma gondii aldehyde dehydrogenase 0.0064 0.0384 0.0384
Echinococcus multilocularis lysosomal alpha glucosidase 0.0175 0.2065 0.5824
Loa Loa (eye worm) hypothetical protein 0.0231 0.2921 0.4408
Echinococcus multilocularis Two pore potassium channel protein sup 9 0.0231 0.2921 0.8237

Activities

Activity type Activity value Assay description Source Reference
Rate of inhibition (functional) = 84.6 % In vitro rate of inhibition of A-549 tumor cell growth at 10E-6 mol/L ChEMBL. 14980660
Rate of inhibition (functional) = 84.6 % In vitro rate of inhibition of A-549 tumor cell growth at 10E-6 mol/L ChEMBL. 14980660
Rate of inhibition (functional) = 86.2 % In vitro rate of inhibition of A-549 tumor cell growth at 10E-5 mol/L ChEMBL. 14980660
Rate of inhibition (functional) = 86.2 % In vitro rate of inhibition of A-549 tumor cell growth at 10E-8 mol/L ChEMBL. 14980660
Rate of inhibition (functional) = 86.2 % In vitro rate of inhibition of A-549 tumor cell growth at 10E-5 mol/L ChEMBL. 14980660
Rate of inhibition (functional) = 86.2 % In vitro rate of inhibition of A-549 tumor cell growth at 10E-8 mol/L ChEMBL. 14980660
Rate of inhibition (functional) = 87.7 % In vitro rate of inhibition of A-549 tumor cell growth at 10E-4 mol/L ChEMBL. 14980660
Rate of inhibition (functional) = 87.7 % In vitro rate of inhibition of A-549 tumor cell growth at 10E-4 mol/L ChEMBL. 14980660
Rate of inhibition (functional) = 89.2 % In vitro rate of inhibition of A-549 tumor cell growth at 10E-7 mol/L ChEMBL. 14980660
Rate of inhibition (functional) = 89.2 % In vitro rate of inhibition of A-549 tumor cell growth at 10E-7 mol/L ChEMBL. 14980660
Rate of inhibition (functional) = 92.2 % In vitro rate of inhibition of P388 tumor cell growth at 10E-8 mol/L ChEMBL. 14980660
Rate of inhibition (functional) = 92.2 % In vitro rate of inhibition of P388 tumor cell growth at 10E-8 mol/L ChEMBL. 14980660
Rate of inhibition (functional) = 93.8 % In vitro rate of inhibition of P388 tumor cell growth at 10E-5 mol/L ChEMBL. 14980660
Rate of inhibition (functional) = 93.8 % In vitro rate of inhibition of P388 tumor cell growth at 10E-6 mol/L ChEMBL. 14980660
Rate of inhibition (functional) = 93.8 % In vitro rate of inhibition of P388 tumor cell growth at 10E-5 mol/L ChEMBL. 14980660
Rate of inhibition (functional) = 93.8 % In vitro rate of inhibition of P388 tumor cell growth at 10E-6 mol/L ChEMBL. 14980660
Rate of inhibition (functional) = 95.2 % In vitro rate of inhibition of P388 tumor cell growth at 10E-7 mol/L ChEMBL. 14980660
Rate of inhibition (functional) = 95.2 % In vitro rate of inhibition of P388 tumor cell growth at 10E-7 mol/L ChEMBL. 14980660
Rate of inhibition (functional) = 95.3 % In vitro rate of inhibition of P388 tumor cell growth at 10E-4 mol/L ChEMBL. 14980660
Rate of inhibition (functional) = 95.3 % In vitro rate of inhibition of P388 tumor cell growth at 10E-4 mol/L ChEMBL. 14980660

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

1 literature reference was collected for this gene.

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