Detailed information for compound 115083

Basic information

Technical information
  • TDR Targets ID: 115083
  • Name: 11-ethyl-8-hydroxy-6-methylpyrido[3,2-c][1,5] benzodiazepin-5-one
  • MW: 269.299 | Formula: C15H15N3O2
  • H donors: 1 H acceptors: 3 LogP: 1.97 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1c2ccc(cc2n(c(=O)c2c1nccc2)C)O
  • InChi: 1S/C15H15N3O2/c1-3-18-12-7-6-10(19)9-13(12)17(2)15(20)11-5-4-8-16-14(11)18/h4-9,19H,3H2,1-2H3
  • InChiKey: CMRKYQLFVGOABH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 11-ethyl-8-hydroxy-6-methyl-pyrido[3,2-c][1,5]benzodiazepin-5-one
  • 11-ethyl-8-hydroxy-6-methyl-5-pyrido[3,2-c][1,5]benzodiazepinone
  • 133626-71-8
  • AIDS-003138
  • AIDS003138
  • N11-Ethyl-8-hydroxy-N6-methyl-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one
  • N11-Ethyl-8-hydroxy-N6-methyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 reverse transcriptase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei RNA helicase, putative Get druggable targets OG5_139608 All targets in OG5_139608
Schistosoma mansoni hypothetical protein Get druggable targets OG5_139608 All targets in OG5_139608
Trypanosoma congolense RNA helicase, putative Get druggable targets OG5_139608 All targets in OG5_139608
Plasmodium yoelii integrase-related Get druggable targets OG5_139608 All targets in OG5_139608
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
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0212 1 0.5
Trichomonas vaginalis flap endonuclease-1, putative 0.0074 0.2554 0.2554
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0064 0.2031 0.2031
Brugia malayi Flap endonuclease-1 0.0064 0.2031 0.2031
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0212 1 1
Trypanosoma brucei unspecified product 0.0029 0.0122 0.0122
Echinococcus granulosus proteasome prosome macropain 0.0212 1 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.2554 0.0656
Plasmodium vivax proteasome subunit beta type-5, putative 0.0212 1 1
Trypanosoma brucei ingi protein (ORF1) 0.0029 0.0122 0.0122
Giardia lamblia Flap structure-specific endonuclease 0.0064 0.2031 0.2031
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0212 1 0.5
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0212 1 1
Trichomonas vaginalis flap endonuclease-1, putative 0.0064 0.2031 0.2031
Plasmodium vivax DNA repair protein RAD2, putative 0.0074 0.2554 0.0656
Toxoplasma gondii proteasome subunit beta type, putative 0.0212 1 1
Schistosoma mansoni flap endonuclease-1 0.0054 0.1478 0.1478
Trypanosoma brucei ingi protein (ORF1) 0.0029 0.0122 0.0122
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0212 1 1
Echinococcus granulosus flap endonuclease 1 0.0064 0.2031 0.2031
Echinococcus granulosus DNA repair protein complementing XP G cells 0.0074 0.2554 0.2554
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0212 1 1
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0064 0.2031 0.2031
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0064 0.2031 0.2031
Echinococcus multilocularis flap endonuclease 1 0.0064 0.2031 0.2031
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0064 0.2031 0.2031
Plasmodium falciparum proteasome subunit beta type-5 0.0212 1 1
Plasmodium falciparum DNA repair protein RAD2, putative 0.0074 0.2554 0.0656
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0212 1 1
Toxoplasma gondii XPG N-terminal domain-containing protein 0.0074 0.2554 0.2554
Schistosoma mansoni hypothetical protein 0.01 0.3947 0.3947
Entamoeba histolytica DNA-repair protein, putative 0.0074 0.2554 0.0656
Onchocerca volvulus Ribonuclease H1 homolog 0.0027 0 0.5
Echinococcus multilocularis DNA repair protein complementing XP G cells 0.0074 0.2554 0.2554
Trypanosoma brucei hypothetical protein, conserved 0.0029 0.0122 0.0122
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0029 0.0122 0.0122
Treponema pallidum ribonuclease H (rnhA) 0.0027 0 0.5
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0212 1 1
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0212 1 1
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0212 1 1
Leishmania major proteasome beta 5 subunit, putative 0.0212 1 1
Schistosoma mansoni xp-G/rad2 DNA repair endonuclease family 0.0074 0.2554 0.2554
Brugia malayi XPG N-terminal domain containing protein 0.0063 0.1936 0.1936
Echinococcus multilocularis proteasome (prosome, macropain) 0.0212 1 1
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0027 0 0.5
Mycobacterium ulcerans proteasome PrcB 0.0212 1 0.5
Trypanosoma brucei RNA helicase, putative 0.01 0.3947 0.3947

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 1 uM In vitro inhibitory activity against human immunodeficiency virus type 1 (HIV-1) reverse transcriptase (RT) ChEMBL. 1712395
IC50 (binding) > 1 uM In vitro inhibitory activity against human immunodeficiency virus type 1 (HIV-1) reverse transcriptase (RT) ChEMBL. 1712395
Inhibition (binding) = 47 % In vitro inhibitory activity against human immunodeficiency virus type 1 (HIV-1) reverse transcriptase (RT) at a concentration of 10 ug/mL. ChEMBL. 1712395
Inhibition (binding) = 47 % In vitro inhibitory activity against human immunodeficiency virus type 1 (HIV-1) reverse transcriptase (RT) at a concentration of 10 ug/mL. ChEMBL. 1712395

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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