Detailed information for compound 1684096

Basic information

Technical information
  • TDR Targets ID: 1684096
  • Name: AIDS025364
  • MW: 268.314 | Formula: C15H16N4O
  • H donors: 0 H acceptors: 3 LogP: 1.96 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1c2c(C)ccnc2n(c(=O)c2c1nccc2)C
  • InChi: 1S/C15H16N4O/c1-4-19-12-10(2)7-9-17-14(12)18(3)15(20)11-6-5-8-16-13(11)19/h5-9H,4H2,1-3H3
  • InChiKey: IEVIVXVNSRQQPQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4,11-Dimethyl-5-ethyldipyrido[2,3-b:2',3'-e][1,4]diazepin-10(11H)-one
  • AIDS-025364

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 Synapse defective protein 1 0.0007 0.0035 0.0378
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0007 0.0029 0.0029
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0019 0.028 0.2993
Echinococcus multilocularis protein piccolo 0.0007 0.0029 0.0029
Onchocerca volvulus 0.0006 0 0.5
Giardia lamblia Nitric oxide synthase, inducible 0.0044 0.0815 0.5
Loa Loa (eye worm) hypothetical protein 0.0049 0.0936 1
Plasmodium falciparum nitric oxide synthase, putative 0.0049 0.0936 1
Echinococcus multilocularis intersectin 2 0.0006 0.0007 0.0007
Brugia malayi flavodoxin family protein 0.0049 0.0936 1
Echinococcus granulosus methionine synthase reductase 0.003 0.053 0.053
Entamoeba histolytica type A flavoprotein, putative 0.0019 0.028 1
Onchocerca volvulus Putative cc2d1b protein 0.0006 0 0.5
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.003 0.053 0.5659
Onchocerca volvulus 0.0006 0 0.5
Plasmodium vivax flavodoxin domain containing protein 0.0044 0.0815 0.871
Schistosoma mansoni diflavin oxidoreductase 0.0024 0.0401 0.4283
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0049 0.0936 1
Loa Loa (eye worm) flavodoxin family protein 0.0019 0.028 0.2993
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0049 0.0936 1
Plasmodium vivax hypothetical protein, conserved 0.0019 0.028 0.2993
Entamoeba histolytica type A flavoprotein, putative 0.0019 0.028 1
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0019 0.028 0.2993
Brugia malayi FAD binding domain containing protein 0.003 0.053 0.5659
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0049 0.0936 0.0936
Schistosoma mansoni cytochrome P450 reductase 0.0049 0.0936 1
Onchocerca volvulus 0.0006 0 0.5
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0044 0.0815 0.871
Loa Loa (eye worm) FAD binding domain-containing protein 0.003 0.053 0.5659
Trypanosoma cruzi p450 reductase, putative 0.0049 0.0936 1
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0007 0.0029 0.0029
Toxoplasma gondii flavodoxin domain-containing protein 0.0024 0.0401 1
Leishmania major hypothetical protein, conserved 0.0019 0.028 0.2993
Loa Loa (eye worm) hypothetical protein 0.0007 0.0029 0.0311
Schistosoma mansoni NADPH flavin oxidoreductase 0.0025 0.0409 0.4369
Chlamydia trachomatis sulfite reductase 0.003 0.053 0.5
Leishmania major cytochrome P450 reductase, putative 0.0044 0.0815 0.871
Trichomonas vaginalis sulfite reductase, putative 0.0049 0.0936 1
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0019 0.028 0.2993
Brugia malayi Synapse defective protein 1 0.0006 0.0006 0.0067
Onchocerca volvulus 0.0006 0 0.5
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0049 0.0936 1
Schistosoma mansoni rho gtpase activating protein 0.0006 0.0006 0.0067
Trypanosoma cruzi NADPH--cytochrome P450 reductase, putative 0.0019 0.028 0.2993
Plasmodium falciparum S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0019 0.028 0.2993
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0007 0.0029 0.0311
Echinococcus granulosus intersectin 2 0.0006 0.0007 0.0007
Brugia malayi C2 domain containing protein 0.0007 0.0029 0.0311
Trypanosoma brucei S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0019 0.028 0.2993
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0049 0.0936 1
Echinococcus multilocularis active breakpoint cluster region 0.047 1 1
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0049 0.0936 1
Treponema pallidum flavodoxin 0.0019 0.028 0.5
Toxoplasma gondii flavodoxin domain-containing protein 0.0024 0.0401 1
Onchocerca volvulus 0.0006 0 0.5
Onchocerca volvulus 0.0006 0 0.5
Loa Loa (eye worm) FAD binding domain-containing protein 0.0049 0.0936 1
Onchocerca volvulus Multiple C2 domain and transmembrane region protein homolog 0.0006 0 0.5
Entamoeba histolytica type A flavoprotein, putative 0.0019 0.028 1
Entamoeba histolytica type A flavoprotein, putative 0.0019 0.028 1
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0049 0.0936 0.5
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0049 0.0936 1
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0049 0.0936 0.0936
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0019 0.028 0.2993
Echinococcus multilocularis methionine synthase reductase 0.003 0.053 0.053
Onchocerca volvulus 0.0006 0 0.5
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0049 0.0936 0.0936
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0019 0.028 0.2993
Plasmodium falciparum NADPH--cytochrome P450 reductase, putative 0.0019 0.028 0.2993
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0049 0.0936 0.0936
Entamoeba histolytica type A flavoprotein, putative 0.0019 0.028 1
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0049 0.0936 1
Onchocerca volvulus 0.0006 0 0.5
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0019 0.028 0.2993
Brugia malayi FAD binding domain containing protein 0.0049 0.0936 1
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0049 0.0936 1
Leishmania major p450 reductase, putative 0.0049 0.0936 1
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0049 0.0936 1
Giardia lamblia Hypothetical protein 0.0044 0.0815 0.5
Brugia malayi flavodoxin family protein 0.0019 0.028 0.2993
Schistosoma mansoni rab3 interacting molecule (rim)-related 0.0007 0.0029 0.0311

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) < 35 % In vitro for inhibition of HIV-1 reverse transcriptase at 1 microM ChEMBL. 7537334

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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