Detailed information for compound 1708294

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 334.375 | Formula: C18H18N6O
  • H donors: 1 H acceptors: 6 LogP: 3.13 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCn1nnnc1c1nc2cc3ccccc3cc2nc1O
  • InChi: 1S/C18H18N6O/c1-2-3-6-9-24-17(21-22-23-24)16-18(25)20-15-11-13-8-5-4-7-12(13)10-14(15)19-16/h4-5,7-8,10-11H,2-3,6,9H2,1H3,(H,20,25)
  • InChiKey: ZIVSWIHUWWVTIF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens SUMO1/sentrin specific peptidase 1 Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans one of three potential ubiquitin-like protein-specific protease genes Get druggable targets OG5_127954 All targets in OG5_127954
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Cryptosporidium parvum ULP1 like chllamydin domain containing protease Get druggable targets OG5_127954 All targets in OG5_127954
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase Get druggable targets OG5_127954 All targets in OG5_127954
Plasmodium yoelii similar to sentrin/SUMO-specific protease Get druggable targets OG5_127954 All targets in OG5_127954
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii Ulp1 protease family, C-terminal catalytic domain-containing protein Get druggable targets OG5_127954 All targets in OG5_127954
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax sentrin-specific protease 1, putative Get druggable targets OG5_127954 All targets in OG5_127954
Echinococcus multilocularis sentrin specific protease 1 Get druggable targets OG5_127954 All targets in OG5_127954
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum sentrin-specific protease 1 Get druggable targets OG5_127954 All targets in OG5_127954
Babesia bovis ulp1 protease family, C-terminal catalytic domain containing protein Get druggable targets OG5_127954 All targets in OG5_127954
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein Get druggable targets OG5_127954 All targets in OG5_127954
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K08592 sentrin-specific protease 1, putative Get druggable targets OG5_127954 All targets in OG5_127954
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_127954 All targets in OG5_127954
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni family C48 unassigned peptidase (C48 family) Get druggable targets OG5_127954 All targets in OG5_127954
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127954 All targets in OG5_127954
Theileria parva hypothetical protein Get druggable targets OG5_127954 All targets in OG5_127954
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi sentrin-specific protease 1, putative Get druggable targets OG5_127954 All targets in OG5_127954
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei sentrin-specific protease 1, putative Get druggable targets OG5_127954 All targets in OG5_127954
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127954 All targets in OG5_127954
Echinococcus granulosus sentrin specific protease 1 Get druggable targets OG5_127954 All targets in OG5_127954
Candida albicans one of three potential ubiquitin-like protein-specific protease genes Get druggable targets OG5_127954 All targets in OG5_127954
Schistosoma mansoni family C48 unassigned peptidase (C48 family) Get druggable targets OG5_127954 All targets in OG5_127954
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein Get druggable targets OG5_127954 All targets in OG5_127954
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0041 0.2125 0.6286
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0291 0.0291
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0291 0.086
Brugia malayi isocitrate dehydrogenase 0.0019 0.0291 0.0291
Loa Loa (eye worm) hypothetical protein 0.0019 0.0288 0.0288
Plasmodium vivax sentrin-specific protease 1, putative 0.0056 0.338 1
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0291 0.086
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.2125 0.2125
Chlamydia trachomatis deubiquitinase/deneddylase Dub1 0.0016 0 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0288 0.0853
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0291 0.086
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0056 0.338 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0291 0.0291
Plasmodium falciparum sentrin-specific protease 1 0.0056 0.338 1
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0056 0.338 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0291 1
Schistosoma mansoni hypothetical protein 0.0019 0.0288 0.0853
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0.0291 0.5
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0056 0.338 1
Chlamydia trachomatis deubiquitinase/deneddylase Dub2 0.0016 0 0.5
Echinococcus multilocularis GPCR, family 2 0.0019 0.0288 0.0853
Echinococcus granulosus GPCR family 2 0.0019 0.0288 0.0853
Giardia lamblia Sentrin specific protease, putative 0.0016 0 0.5
Toxoplasma gondii Ulp1 protease family, C-terminal catalytic domain-containing protein 0.0056 0.338 1
Loa Loa (eye worm) transcription factor SMAD2 0.0136 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.3707 0.3707
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.3707 0.3707
Schistosoma mansoni hypothetical protein 0.0019 0.0288 0.0853
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0056 0.338 0.338
Loa Loa (eye worm) hypothetical protein 0.0056 0.338 0.338
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0056 0.338 1
Echinococcus multilocularis sentrin specific protease 1 0.0056 0.338 1
Onchocerca volvulus 0.0016 0 0.5
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0291 0.086
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0288 0.0853
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0288 0.0288
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.3707 0.3707
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0291 0.086
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0.0291 1
Echinococcus granulosus sentrin specific protease 1 0.0056 0.338 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0291 0.086
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0288 0.0853
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0291 0.086
Loa Loa (eye worm) hypothetical protein 0.0041 0.2125 0.2125
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0288 0.0853
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0291 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0136 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.3707 0.3707
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0288 0.0288
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0.0291 0.086
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0291 0.086
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0291 1
Schistosoma mansoni hypothetical protein 0.0019 0.0288 0.0853
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0288 0.0288
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0291 0.086
Schistosoma mansoni hypothetical protein 0.0019 0.0288 0.0853
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.0291 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 1.29 uM PubChem BioAssay. Dose response confirmation of small molecule inhibitors of the catalytic domain of the SUMO protease, SENP1 in a FRET assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 4.94 uM PubChem BioAssay. Dose response confirmation of small molecule inhibitors of the catalytic domain of the SUMO protease, SENP1 in a kinetic FRET assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.7783 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.1095 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 112.2018 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

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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