Detailed information for compound 1575357

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 220.254 | Formula: C8H8N6S
  • H donors: 3 H acceptors: 2 LogP: -0.39 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=S)NN=Cc1c[nH]c2c1nccn2
  • InChi: 1S/C8H8N6S/c9-8(15)14-13-4-5-3-12-7-6(5)10-1-2-11-7/h1-4H,(H,11,12)(H3,9,14,15)
  • InChiKey: RKAACVFINHZHAL-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 SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.3186 0.5008
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.3186 0.5008
Trichomonas vaginalis triosephosphate isomerase, putative 0.0097 0.6363 1
Plasmodium falciparum triosephosphate isomerase, putative 0.0039 0.1955 0.1318
Toxoplasma gondii proteasome subunit beta type, putative 0.0074 0.4656 0.6639
Plasmodium falciparum triosephosphate isomerase 0.0097 0.6363 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.3186 0.5008
Plasmodium vivax proteasome subunit beta type-5, putative 0.0074 0.4656 0.6639
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.3186 0.2858
Mycobacterium ulcerans triosephosphate isomerase 0.0097 0.6363 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.3186 0.5008
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0074 0.4656 0.6639
Trypanosoma brucei triosephosphate isomerase 0.0097 0.6363 1
Brugia malayi hypothetical protein 0.003 0.1286 0.0866
Schistosoma mansoni triosephosphate isomerase 0.0039 0.1955 0.3073
Brugia malayi Proteasome A-type and B-type family protein 0.0074 0.4656 0.4399
Trichomonas vaginalis triosephosphate isomerase, putative 0.0097 0.6363 1
Echinococcus granulosus proteasome prosome macropain 0.0074 0.4656 0.7318
Echinococcus multilocularis triosephosphate isomerase 0.0097 0.6363 1
Trypanosoma cruzi triosephosphate isomerase, putative 0.0097 0.6363 1
Treponema pallidum triosephosphate isomerase 0.0097 0.6363 0.5
Leishmania major proteasome beta 5 subunit, putative 0.0074 0.4656 0.6639
Plasmodium vivax triosephosphate isomerase, putative 0.0039 0.1955 0.1318
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0074 0.4656 0.6639
Chlamydia trachomatis triosephosphate isomerase 0.0097 0.6363 0.5
Brugia malayi triosephosphate isomerase 0.0097 0.6363 0.6187
Toxoplasma gondii triose-phosphate isomerase TPI-I 0.0097 0.6363 1
Mycobacterium tuberculosis Probable triosephosphate isomerase Tpi (TIM) 0.0097 0.6363 1
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0074 0.4656 0.7318
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0074 0.4656 0.3868
Plasmodium falciparum proteasome subunit beta type-5 0.0074 0.4656 0.6639
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.3186 0.218
Mycobacterium leprae Probable triosephosphate isomerase Tpi (TIM) 0.0097 0.6363 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 1 1
Entamoeba histolytica triosephosphate isomerase 0.0097 0.6363 1
Giardia lamblia Triosephosphate isomerase, cytosolic 0.0097 0.6363 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.3186 0.5008
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.3186 0.5008
Plasmodium vivax triosephosphate isomerase, putative 0.0097 0.6363 1
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0074 0.4656 0.6639
Echinococcus granulosus triosephosphate isomerase 0.0097 0.6363 1
Toxoplasma gondii triose-phosphate isomerase TPI-II 0.0097 0.6363 1
Loa Loa (eye worm) triosephosphate isomerase 0.0097 0.6363 0.5826
Wolbachia endosymbiont of Brugia malayi triosephosphate isomerase 0.0097 0.6363 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.3186 0.5008
Leishmania major triosephosphate isomerase 0.0097 0.6363 1
Schistosoma mansoni triosephosphate isomerase 0.0097 0.6363 1
Echinococcus multilocularis proteasome (prosome, macropain) 0.0074 0.4656 0.7318

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.7783 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. qHTS for Inhibitors of TGF-b: Confirmation of Cherry Picks. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.929 uM PubChem BioAssay. qHTS for Inhibitors of TGF-b: Hit Validation in HepG2 Cells using COP promoter. (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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