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

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.