Detailed information for compound 899181

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 395.478 | Formula: C20H21N5O2S
  • H donors: 1 H acceptors: 4 LogP: 2.3 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1c2nnc(n2c2c(c1=O)scc2)CCC(=O)NCc1ccc(cc1)C
  • InChi: 1S/C20H21N5O2S/c1-3-24-19(27)18-15(10-11-28-18)25-16(22-23-20(24)25)8-9-17(26)21-12-14-6-4-13(2)5-7-14/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,21,26)
  • InChiKey: JWOSZLZTDNKGLE-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
Echinococcus multilocularis tubulin alpha 3 chain 0.002 0.364 1
Leishmania major alpha tubulin 0.002 0.364 0.364
Leishmania major alpha tubulin 0.002 0.364 0.364
Echinococcus granulosus Tubulin alpha 1 chain 0.002 0.364 1
Schistosoma mansoni alpha tubulin 0.002 0.364 1
Schistosoma mansoni hypothetical protein 0.0018 0.2876 0.7901
Trypanosoma cruzi cytochrome P450, putative 0.0036 1 1
Leishmania major alpha tubulin 0.002 0.364 0.364
Leishmania major alpha tubulin 0.002 0.364 0.364
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0036 1 1
Echinococcus multilocularis tubulin alpha 1C chain 0.002 0.364 1
Leishmania major alpha tubulin 0.002 0.364 0.364
Echinococcus multilocularis Tubulin alpha 1 chain 0.002 0.364 1
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0018 0.2876 0.5
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0018 0.2876 0.5
Echinococcus multilocularis tubulin subunit TubB 0.002 0.364 1
Schistosoma mansoni tubulin subunit alpha 0.002 0.364 1
Trypanosoma cruzi alpha tubulin, putative 0.002 0.364 0.364
Loa Loa (eye worm) alpha-tubulin 0.002 0.364 0.364
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0018 0.2876 0.5
Echinococcus granulosus tubulin subunit TubB 0.002 0.364 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.002 0.364 1
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0018 0.2876 0.5
Schistosoma mansoni alpha tubulin 0.002 0.364 1
Brugia malayi Tubulin alpha chain 0.002 0.364 0.364
Leishmania major cytochrome p450-like protein 0.0018 0.2876 0.2876
Echinococcus multilocularis tubulin alpha chain 0.002 0.364 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.002 0.364 1
Brugia malayi Cytochrome P450 family protein 0.0018 0.2876 0.2876
Plasmodium vivax tubulin alpha chain, putative 0.002 0.364 1
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0018 0.2876 0.5
Loa Loa (eye worm) cytochrome P450 0.0018 0.2876 0.2876
Echinococcus granulosus Tubulin alpha 1 chain 0.002 0.364 1
Leishmania major alpha tubulin 0.002 0.364 0.364
Plasmodium falciparum alpha tubulin 1 0.002 0.364 1
Entamoeba histolytica tubulin alpha chain, putative 0.002 0.364 1
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0018 0.2876 0.5
Trichomonas vaginalis tubulin beta chain, putative 0.002 0.364 1
Loa Loa (eye worm) tubulin alpha-3 chain 0.0014 0.124 0.124
Brugia malayi alpha-tubulin 0.002 0.364 0.364
Trypanosoma brucei cytochrome P450, putative 0.0036 1 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.124 0.124
Echinococcus granulosus cytochrome P450 2K1 0.0018 0.2876 0.7901
Echinococcus multilocularis hypothetical protein 0.002 0.364 1
Echinococcus multilocularis tubulin alpha chain 0.002 0.364 1
Brugia malayi tubulin alpha-2 chain 0.002 0.364 0.364
Schistosoma mansoni tubulin subunit alpha 0.002 0.364 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0014 0.124 0.3406
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0018 0.2876 0.5
Echinococcus multilocularis tubulin alpha chain 0.002 0.364 1
Mycobacterium leprae Conserved hypothetical protein 0.0018 0.2876 0.5
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0018 0.2876 0.5
Giardia lamblia Alpha-tubulin 0.002 0.364 1
Brugia malayi Cytochrome P450 family protein 0.0018 0.2876 0.2876
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.002 0.364 1
Echinococcus multilocularis 0.0018 0.2876 0.7901
Echinococcus granulosus Tubulin alpha 1 chain 0.002 0.364 1
Brugia malayi Tubulin alpha-2 chain 0.002 0.364 0.364
Loa Loa (eye worm) hypothetical protein 0.0015 0.1798 0.1798
Trichomonas vaginalis tubulin beta chain, putative 0.002 0.364 1
Trypanosoma brucei alpha tubulin 0.002 0.364 0.364
Echinococcus granulosus tubulin alpha chain 0.002 0.364 1
Trypanosoma brucei alpha tubulin 0.002 0.364 0.364
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0018 0.2876 0.5
Echinococcus granulosus tubulin alpha 3 chain 0.002 0.364 1
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0018 0.2876 0.2876
Leishmania major alpha tubulin 0.002 0.364 0.364
Echinococcus granulosus alpha tubulin 0.002 0.364 1
Trichomonas vaginalis tubulin beta chain, putative 0.002 0.364 1
Toxoplasma gondii alpha-tubulin I, putative 0.002 0.364 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.2882 0.2882
Loa Loa (eye worm) cytochrome P450 family protein 0.0036 1 1
Echinococcus multilocularis tubulin alpha 3 chain 0.002 0.364 1
Leishmania major alpha tubulin 0.002 0.364 0.364
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0018 0.2876 0.5
Leishmania major alpha tubulin 0.002 0.364 0.364
Mycobacterium leprae putative cytochrome p450 0.0018 0.2876 0.5
Loa Loa (eye worm) alpha-tubulin 0.002 0.364 0.364
Leishmania major alpha tubulin 0.002 0.364 0.364
Echinococcus granulosus tubulin alpha chain 0.002 0.364 1
Loa Loa (eye worm) tubulin alpha 2 0.0015 0.1798 0.1798
Echinococcus granulosus peroxisome assembly protein 26 0.002 0.364 1
Leishmania major alpha tubulin 0.002 0.364 0.364
Trichomonas vaginalis tubulin beta chain, putative 0.002 0.364 1
Echinococcus granulosus tubulin alpha 1C chain 0.002 0.364 1
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0018 0.2876 0.5
Leishmania major alpha tubulin 0.002 0.364 0.364
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0018 0.2876 0.5
Trypanosoma brucei alpha tubulin 0.002 0.364 0.364
Echinococcus multilocularis tubulin alpha chain 0.002 0.364 1
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0018 0.2876 0.2876
Entamoeba histolytica tubulin alpha-1 chain 0.002 0.364 1
Trichomonas vaginalis tubulin beta chain, putative 0.002 0.364 1
Plasmodium vivax tubulin alpha chain, putative 0.002 0.364 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.002 0.364 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0018 0.2876 0.2876
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0018 0.2876 0.2876
Trypanosoma cruzi cytochrome P450, putative 0.0036 1 1
Leishmania major cytochrome p450-like protein 0.0018 0.2876 0.2876
Echinococcus granulosus tubulin alpha 1C chain 0.002 0.364 1
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0018 0.2876 0.5
Trichomonas vaginalis tubulin epsilon chain, putative 0.002 0.364 1
Loa Loa (eye worm) hypothetical protein 0.002 0.364 0.364
Loa Loa (eye worm) tubulin alpha 2 0.0015 0.1798 0.1798
Trypanosoma brucei alpha tubulin 0.002 0.364 0.364
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0015 0.1798 0.1798
Schistosoma mansoni cytochrome P450 0.0018 0.2876 0.7901
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0018 0.2876 0.5
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0018 0.2876 0.2876
Brugia malayi Cytochrome P450 family protein 0.0036 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.002 0.364 1
Brugia malayi cytochrome P450 0.0018 0.2876 0.2876
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0018 0.2876 0.5
Leishmania major cytochrome p450-like protein 0.0036 1 1
Loa Loa (eye worm) tubulin alpha-2 chain 0.002 0.364 0.364
Toxoplasma gondii cytochrome p450 superfamily protein 0.0018 0.2876 0.7901
Echinococcus granulosus tubulin alpha chain 0.002 0.364 1
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0018 0.2876 0.5
Giardia lamblia Alpha-tubulin 0.002 0.364 1
Loa Loa (eye worm) CYP4Cod1 0.0036 1 1
Plasmodium falciparum alpha tubulin 2 0.002 0.364 1
Echinococcus multilocularis tubulin alpha chain 0.002 0.364 1
Echinococcus multilocularis tubulin alpha 1C chain 0.002 0.364 1
Toxoplasma gondii alpha tubulin TUBA1 0.002 0.364 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0018 0.2876 0.2876
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0018 0.2876 0.5
Echinococcus granulosus tubulin alpha chain 0.002 0.364 1
Echinococcus multilocularis peroxisome assembly protein 26 0.002 0.364 1
Echinococcus granulosus tubulin alpha chain 0.002 0.364 1
Echinococcus granulosus tubulin alpha 3 chain 0.002 0.364 1
Loa Loa (eye worm) tubulin alpha chain 0.002 0.364 0.364
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0018 0.2876 0.5
Schistosoma mansoni alpha tubulin 0.002 0.364 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0015 0.1798 0.494
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0018 0.2876 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0036 1 1
Loa Loa (eye worm) tubulin alpha chain 0.002 0.364 0.364
Brugia malayi tubulin alpha chain - mouse 0.002 0.364 0.364
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0018 0.2876 0.5
Schistosoma mansoni tubulin subunit alpha 0.002 0.364 1
Brugia malayi Tubulin alpha-2 chain 0.002 0.364 0.364

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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