Detailed information for compound 1469798

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 337.399 | Formula: C17H15N5OS
  • H donors: 1 H acceptors: 3 LogP: 2.78 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1nc2nc(sc2c(n1)N1CCOCC1)C#Cc1ccccc1
  • InChi: 1S/C17H15N5OS/c18-17-20-15-14(16(21-17)22-8-10-23-11-9-22)24-13(19-15)7-6-12-4-2-1-3-5-12/h1-5H,8-11H2,(H2,18,20,21)
  • InChiKey: QZRVRHGWRPOHCE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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 helicase, putative 0.0006 0.0525 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.3999 0.3757
Trypanosoma brucei cytochrome P450, putative 0.0026 0.3999 1
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0017 0.2473 0.5
Brugia malayi Cytochrome P450 family protein 0.0026 0.3999 0.3756
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.7357 0.7328
Loa Loa (eye worm) cytochrome P450 0.0017 0.2473 0.1897
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0525 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0054 0.9119 1
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0939 0.0026
Leishmania major cytochrome p450-like protein 0.0026 0.3999 1
Loa Loa (eye worm) CYP4Cod1 0.0026 0.3999 0.3757
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0017 0.2473 0.5
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0026 0.3999 1
Trypanosoma cruzi cytochrome P450, putative 0.0026 0.3999 1
Echinococcus granulosus cpg binding protein 0.003 0.4678 0.6015
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0017 0.2473 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.7357 1
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0017 0.2473 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0525 1
Brugia malayi CXXC zinc finger family protein 0.0028 0.4393 0.4237
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0017 0.2473 0.5
Onchocerca volvulus 0.0028 0.4393 0.5
Echinococcus multilocularis 0.0017 0.2473 0.2735
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0017 0.2473 0.5
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0017 0.2473 0.5
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0939 0.0453
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0017 0.2473 0.5
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0017 0.2473 0.5
Schistosoma mansoni cpg binding protein 0.003 0.4678 0.4619
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.7357 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.8867 1
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0017 0.2473 0.5
Brugia malayi Cytochrome P450 family protein 0.0054 0.9119 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.7357 0.7852
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0017 0.2473 0.5
Schistosoma mansoni cpg binding protein 0.003 0.4678 0.4619
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0525 1
Echinococcus granulosus cytochrome P450 2K1 0.0017 0.2473 0.2735
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0939 0.0453
Mycobacterium leprae Conserved hypothetical protein 0.0017 0.2473 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0634 0.0531
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0017 0.2473 0.5
Schistosoma mansoni hypothetical protein 0.0017 0.2473 0.239
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.3999 0.3757
Echinococcus multilocularis cpg binding protein 0.003 0.4678 0.6015
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0017 0.2473 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0026 0.3999 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0525 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0525 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.7357 1
Schistosoma mansoni cytochrome P450 0.0017 0.2473 0.239
Brugia malayi cytochrome P450 0.0017 0.2473 0.1895
Brugia malayi Cytochrome P450 family protein 0.0017 0.2473 0.1895
Schistosoma mansoni cpg binding protein 0.0028 0.4393 0.4331
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0525 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0525 1
Mycobacterium leprae putative cytochrome p450 0.0017 0.2473 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.7357 0.7328
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0525 1
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0017 0.2473 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0525 1
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0017 0.2473 0.5
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0017 0.2473 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0525 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.7357 1
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0017 0.2473 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0525 1
Brugia malayi Cytochrome P450 family protein 0.0026 0.3999 0.3756
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0525 1
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0017 0.2473 0.5
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0525 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0525 1
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0017 0.2473 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.7357 0.7328
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0525 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0525 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0525 1
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0017 0.2473 0.5
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.4393 0.4238
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.7357 0.7852

Activities

No activities found for this compound.

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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