Detailed information for compound 886597

Basic information

Technical information
  • TDR Targets ID: 886597
  • Name: 3-(2-methoxyethyl)-10-methyl-2-(4-nitrophenyl )pyrimido[6,5-b]quinoline-4,5-dione
  • MW: 406.391 | Formula: C21H18N4O5
  • H donors: 0 H acceptors: 4 LogP: 2.41 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCn1c(nc2c(c1=O)c(=O)c1c(n2C)cccc1)c1ccc(cc1)[N+](=O)[O-]
  • InChi: 1S/C21H18N4O5/c1-23-16-6-4-3-5-15(16)18(26)17-20(23)22-19(24(21(17)27)11-12-30-2)13-7-9-14(10-8-13)25(28)29/h3-10H,11-12H2,1-2H3
  • InChiKey: QLQLRTWKAUUDLY-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(2-methoxyethyl)-10-methyl-2-(4-nitrophenyl)pyrimido[6,5-b]quinoline-4,5-quinone
  • ZINC02339998

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
Schistosoma mansoni integrin alpha 0.2134 0.4577 0.7966
Loa Loa (eye worm) integrin beta-2 0.4371 1 1
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0664 0.1014 0.0638
Echinococcus multilocularis fibrillin 1 0.0553 0.0743 0.0498
Echinococcus multilocularis tissue type plasminogen activator 0.0561 0.0763 0.0527
Schistosoma mansoni integrin alpha-ps 0.0957 0.1723 0.2521
Echinococcus granulosus microtubule associated protein 2 0.0738 0.1193 0.1154
Echinococcus granulosus integrin alpha 3 0.1636 0.3369 0.4331
Brugia malayi Protein kinase domain containing protein 0.0561 0.0763 0.0376
Echinococcus multilocularis neuropeptide s receptor 0.0494 0.0602 0.0293
Loa Loa (eye worm) hypothetical protein 0.1177 0.2258 0.1934
Loa Loa (eye worm) hypothetical protein 0.0561 0.0763 0.0376
Echinococcus granulosus neuropeptide receptor A26 0.0494 0.0602 0.0293
Brugia malayi Kringle domain containing protein 0.0561 0.0763 0.0376
Brugia malayi Integrin alpha pat-2 precursor 0.2134 0.4577 0.435
Schistosoma mansoni hypothetical protein 0.0561 0.0763 0.0689
Leishmania major hypothetical protein, conserved 0.0561 0.0763 0.5
Loa Loa (eye worm) integrin alpha pat-2 0.329 0.7379 0.7269
Loa Loa (eye worm) hypothetical protein 0.1614 0.3317 0.3037
Brugia malayi Integrin alpha cytoplasmic region family protein 0.1614 0.3317 0.3037
Schistosoma mansoni microtubule-associated protein tau 0.0738 0.1193 0.1509
Loa Loa (eye worm) TK/ROR protein kinase 0.0561 0.0763 0.0376
Onchocerca volvulus 0.0561 0.0763 1
Loa Loa (eye worm) hypothetical protein 0.0664 0.1014 0.0638
Echinococcus multilocularis integrin beta 2 0.3238 0.7253 1
Trypanosoma cruzi hypothetical protein, conserved 0.0561 0.0763 0.5
Loa Loa (eye worm) hypothetical protein 0.0498 0.0611 0.0218
Schistosoma mansoni integrin beta subunit 0.2574 0.5643 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0246 0 0.5
Echinococcus multilocularis integrin alpha 3 0.1636 0.3369 0.4331
Echinococcus multilocularis neuropeptide receptor A26 0.0494 0.0602 0.0293
Echinococcus granulosus integrin alpha ps 0.0957 0.1723 0.1928
Schistosoma mansoni hypothetical protein 0.0459 0.0515 0.0217
Echinococcus granulosus tissue type plasminogen activator 0.0561 0.0763 0.0527
Echinococcus granulosus integrin alpha ps 0.0459 0.0515 0.0166
Loa Loa (eye worm) hypothetical protein 0.0459 0.0515 0.0118
Echinococcus multilocularis microtubule associated protein 2 0.0738 0.1193 0.1154
Brugia malayi hypothetical protein 0.0664 0.1014 0.0638
Echinococcus multilocularis integrin alpha ps 0.0957 0.1723 0.1928
Echinococcus granulosus neuropeptide s receptor 0.0494 0.0602 0.0293
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0561 0.0763 0.5
Brugia malayi Kelch motif family protein 0.0664 0.1014 0.0638
Echinococcus multilocularis integrin alpha ps 0.0459 0.0515 0.0166
Schistosoma mansoni integrin alpha-ps 0.0498 0.0611 0.04
Toxoplasma gondii kringle domain-containing protein 0.0561 0.0763 1
Loa Loa (eye worm) hypothetical protein 0.1675 0.3465 0.3192
Echinococcus multilocularis integrin alpha ps 0.0957 0.1723 0.1928
Echinococcus granulosus integrin beta 2 0.3238 0.7253 1
Plasmodium falciparum cysteine repeat modular protein 1 0.0561 0.0763 0.5

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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