Detailed information for compound 1529350

Basic information

Technical information
  • TDR Targets ID: 1529350
  • Name: MLS000859120
  • MW: 314.793 | Formula: C15H11ClN4S
  • H donors: 0 H acceptors: 3 LogP: 3.58 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1c(SC)nc2n(c1c1ccccc1Cl)nc(c2)C
  • InChi: 1S/C15H11ClN4S/c1-9-7-13-18-15(21-2)11(8-17)14(20(13)19-9)10-5-3-4-6-12(10)16/h3-7H,1-2H3
  • InChiKey: NKIPXIXBIACELI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • SMR000459299
  • 7-(2-chlorophenyl)-2-methyl-5-(methylthio)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
  • ZINC00094791
  • Maybridge4_002395

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
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
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
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
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
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
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
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
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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
Loa Loa (eye worm) hypothetical protein 0.0338 0.2786 0.2359
Loa Loa (eye worm) hexokinase 0.0329 0.2696 0.2263
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0559 0.5
Echinococcus multilocularis hexokinase type 2 0.1062 1 1
Onchocerca volvulus 0.1062 1 1
Loa Loa (eye worm) hexokinase 0.0666 0.6059 0.5825
Onchocerca volvulus 0.1062 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0559 0.5
Brugia malayi Hexokinase family protein 0.0329 0.2696 0.2263
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0559 0.5
Loa Loa (eye worm) hexokinase 0.1062 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0559 0.5
Echinococcus granulosus hexokinase type 2 0.1062 1 1
Trypanosoma cruzi hexokinase, putative 0.1062 1 1
Trypanosoma brucei hexokinase, putative 0.1062 1 1
Echinococcus granulosus hexokinase 0.1062 1 1
Entamoeba histolytica hexokinase 2 0.1062 1 1
Onchocerca volvulus 0.1062 1 1
Loa Loa (eye worm) hexokinase type II 0.1062 1 1
Loa Loa (eye worm) hypothetical protein 0.0338 0.2786 0.2359
Treponema pallidum hexokinase (hxk) 0.1062 1 0.5
Trypanosoma brucei hexokinase 0.1062 1 1
Onchocerca volvulus 0.0666 0.6059 0.5825
Echinococcus granulosus hexokinase 0.1062 1 1
Plasmodium vivax hexokinase, putative 0.1062 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0725 0.6637 0.6438
Leishmania major hexokinase, putative 0.1062 1 1
Brugia malayi hexokinase type II 0.0338 0.2786 0.2359
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.0559 0.0559
Loa Loa (eye worm) hexokinase 0.1062 1 1
Leishmania major hexokinase, putative 0.1062 1 1
Onchocerca volvulus Hexokinase homolog 0.0666 0.6059 0.5825
Echinococcus multilocularis hexokinase 0.1062 1 1
Toxoplasma gondii hexokinase 0.1062 1 0.5
Entamoeba histolytica hexokinase 1 0.1062 1 1
Trypanosoma cruzi hexokinase, putative 0.1062 1 1
Giardia lamblia Kinase, PLK 0.0114 0.0559 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0559 0.5
Plasmodium falciparum hexokinase 0.1062 1 0.5
Brugia malayi Hexokinase family protein 0.1062 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0559 0.5
Echinococcus multilocularis hexokinase 0.1062 1 1
Echinococcus multilocularis hexokinase 0.1062 1 1
Brugia malayi Hexokinase family protein 0.0666 0.6059 0.5825
Schistosoma mansoni hexokinase 0.1062 1 1
Trypanosoma brucei hexokinase 0.1062 1 1
Echinococcus granulosus hexokinase 0.1062 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0559 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.6679 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 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) 44.6684 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Iinhibitors of HIV-1 Budding by Blocking the Interaction of PTAP/TSG101. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485342, AID485388] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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