Detailed information for compound 587666

Basic information

Technical information
  • TDR Targets ID: 587666
  • Name: 6-hydroxy-4,5,6,7-tetrahydro-1H-imidazo[4,5-e ][1,4]diazepin-8-one
  • MW: 168.153 | Formula: C6H8N4O2
  • H donors: 4 H acceptors: 3 LogP: -0.76 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC1CNc2c(C(=O)N1)[nH]cn2
  • InChi: 1S/C6H8N4O2/c11-3-1-7-5-4(6(12)10-3)8-2-9-5/h2-3,7,11H,1H2,(H,8,9)(H,10,12)
  • InChiKey: HCLYCONTUAROEE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • azepinomycin
  • 6-hydroxy-4,5,6,7-tetrahydro-1H-imidazo[5,4-f][1,4]diazepin-8-one
  • 89354-15-4
  • 4,5,6,7-Tetrahydro-6-hydroxy-3H-imidazo-(4,5e)(1,4)diazepin-8-one
  • Imidazo(4,5-e)(1,4)diazepin-8(1H)-one, 4,5,6,7-tetrahydro-6-hydroxy-

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens guanine deaminase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans hydroxydechloroatrazine ethylaminohydrolase Get druggable targets OG5_127281 All targets in OG5_127281
Leishmania mexicana guanine deaminase, putative Get druggable targets OG5_127281 All targets in OG5_127281
Trichomonas vaginalis protein ssnA, putative Get druggable targets OG5_127281 All targets in OG5_127281
Entamoeba histolytica guanine deaminase, putative Get druggable targets OG5_127281 All targets in OG5_127281
Trypanosoma brucei guanine deaminase, putative Get druggable targets OG5_127281 All targets in OG5_127281
Leishmania donovani guanine deaminase, putative Get druggable targets OG5_127281 All targets in OG5_127281
Trypanosoma cruzi guanine deaminase, putative Get druggable targets OG5_127281 All targets in OG5_127281
Trypanosoma brucei guanine deaminase, putative Get druggable targets OG5_127281 All targets in OG5_127281
Trichomonas vaginalis protein ssnA, putative Get druggable targets OG5_127281 All targets in OG5_127281
Leishmania major guanine deaminase, putative Get druggable targets OG5_127281 All targets in OG5_127281
Candida albicans putative guanine deaminase Get druggable targets OG5_127281 All targets in OG5_127281
Trypanosoma cruzi guanine deaminase, putative Get druggable targets OG5_127281 All targets in OG5_127281
Candida albicans hypothetical protein Get druggable targets OG5_127281 All targets in OG5_127281
Trypanosoma brucei gambiense guanine deaminase, putative,guanase, putative Get druggable targets OG5_127281 All targets in OG5_127281
Leishmania braziliensis guanine deaminase, putative Get druggable targets OG5_127281 All targets in OG5_127281
Leishmania infantum guanine deaminase, putative Get druggable targets OG5_127281 All targets in OG5_127281
Trichomonas vaginalis guanine deaminase, putative Get druggable targets OG5_127281 All targets in OG5_127281
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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.041 0.0516
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.041 0.0385
Echinococcus multilocularis Protein lozenge 0.0057 0.0647 0.0835
Trichomonas vaginalis set domain proteins, putative 0.0244 0.5025 0.7988
Plasmodium vivax SET domain protein, putative 0.0031 0.0027 0.5
Trypanosoma cruzi guanine deaminase, putative 0.0157 0.2975 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0266 0.5541 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.041 0.618
Trichomonas vaginalis glucosylceramidase, putative 0.0175 0.3397 0.1644
Onchocerca volvulus 0.0457 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.041 0.055
Loa Loa (eye worm) runx1 0.0057 0.0647 0.0622
Echinococcus granulosus tumor protein p63 0.0349 0.7464 1
Entamoeba histolytica guanine deaminase, putative 0.0157 0.2975 0.5
Schistosoma mansoni cellular tumor antigen P53 0.0051 0.05 0.7626
Trichomonas vaginalis glucosylceramidase, putative 0.0266 0.5541 1
Trichomonas vaginalis glucosylceramidase, putative 0.0175 0.3397 0.1644
Loa Loa (eye worm) hypothetical protein 0.0051 0.05 0.0475
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.041 0.618
Echinococcus multilocularis muscleblind protein 0.0154 0.2912 0.388
Trichomonas vaginalis glucosylceramidase, putative 0.0266 0.5541 1
Onchocerca volvulus Glucosylceramidase homolog 0.0175 0.3397 0.3379
Echinococcus multilocularis tumor protein p63 0.0349 0.7464 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0215 0.4331 0.4316
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0509 0.0484
Trichomonas vaginalis glucosylceramidase, putative 0.0175 0.3397 0.1644
Trichomonas vaginalis glucosylceramidase, putative 0.0175 0.3397 0.1644
Schistosoma mansoni lozenge 0.0057 0.0647 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0027 0.5
Schistosoma mansoni hypothetical protein 0.0035 0.0129 0.1644
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.041 0.0516
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.041 0.618
Onchocerca volvulus 0.0244 0.5025 0.5012
Trypanosoma brucei guanine deaminase, putative 0.0157 0.2975 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0509 0.0484
Loa Loa (eye worm) hypothetical protein 0.0154 0.2912 0.2894
Brugia malayi Muscleblind-like protein 0.0154 0.2912 0.2894
Trichomonas vaginalis glucosylceramidase, putative 0.0175 0.3397 0.1644
Trichomonas vaginalis glucosylceramidase, putative 0.0266 0.5541 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0129 0.0102
Trypanosoma cruzi guanine deaminase, putative 0.0157 0.2975 0.5
Echinococcus multilocularis muscleblind protein 1 0.0154 0.2912 0.388
Trichomonas vaginalis glucosylceramidase, putative 0.0266 0.5541 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.041 0.0385
Loa Loa (eye worm) hypothetical protein 0.0154 0.2912 0.2894
Loa Loa (eye worm) hypothetical protein 0.0457 1 1
Onchocerca volvulus 0.0051 0.05 0.0475
Mycobacterium ulcerans hydroxydechloroatrazine ethylaminohydrolase 0.0157 0.2975 0.5
Leishmania major guanine deaminase, putative 0.0157 0.2975 0.5
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0266 0.5541 0.5529
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0266 0.5541 0.5529
Trichomonas vaginalis glucosylceramidase, putative 0.0184 0.3617 0.2502
Trichomonas vaginalis glucosylceramidase, putative 0.0266 0.5541 1
Loa Loa (eye worm) hypothetical protein 0.0457 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.041 0.055
Echinococcus granulosus muscleblind protein 0.0154 0.2912 0.3902
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0509 0.0484
Trichomonas vaginalis glucosylceramidase, putative 0.0175 0.3397 0.1644
Trichomonas vaginalis glucosylceramidase, putative 0.0184 0.3617 0.2502
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0129 0.0102
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0027 0.0036
Trichomonas vaginalis glucosylceramidase, putative 0.0175 0.3397 0.1644
Brugia malayi Pre-SET motif family protein 0.0215 0.4331 0.4316
Trypanosoma brucei guanine deaminase, putative 0.0157 0.2975 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.0509 0.0484

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 5 uM Inhibition of guanase ChEMBL. 23084905

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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