Detailed information for compound 69666

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 289.371 | Formula: C20H19NO
  • H donors: 1 H acceptors: 0 LogP: 4.63 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1ccc(cc1)Cc1ccc(cc1)OCc1ccccc1
  • InChi: 1S/C20H19NO/c21-19-10-6-16(7-11-19)14-17-8-12-20(13-9-17)22-15-18-4-2-1-3-5-18/h1-13H,14-15,21H2
  • InChiKey: HJSYSUWMWUUCEF-UHFFFAOYSA-N  

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 protease, serine, 1 (trypsin 1) Starlite/ChEMBL References
Homo sapiens coagulation factor II (thrombin) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K09639 transmembrane protease, serine 8, putative Get druggable targets OG5_126639 All targets in OG5_126639
Onchocerca volvulus Get druggable targets OG5_126639 All targets in OG5_126639
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) Get druggable targets OG5_126639 All targets in OG5_126639
Onchocerca volvulus Get druggable targets OG5_126639 All targets in OG5_126639
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126639 All targets in OG5_126639
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126639 All targets in OG5_126639
Brugia malayi Trypsin family protein Get druggable targets OG5_126639 All targets in OG5_126639
Schistosoma japonicum ko:K09639 transmembrane protease, serine 8, putative Get druggable targets OG5_126639 All targets in OG5_126639
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) Get druggable targets OG5_126639 All targets in OG5_126639

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Trypsin family protein protease, serine, 1 (trypsin 1) 247 aa 287 aa 21.6 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Brugia malayi Tubulin gamma chain 0.0124 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0124 1 1
Leishmania major alpha tubulin 0.0124 1 1
Echinococcus multilocularis tubulin alpha 3 chain 0.0124 1 1
Echinococcus multilocularis beta tubulin 0.0124 1 1
Echinococcus multilocularis tubulin epsilon chain 0.0124 1 1
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0124 1 1
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0124 1 1
Loa Loa (eye worm) tubulin beta-4 chain 0.0124 1 1
Loa Loa (eye worm) alpha-tubulin isotype 2 0.007 0.2868 0.2868
Brugia malayi alpha-tubulin 0.0124 1 1
Echinococcus multilocularis hypothetical protein 0.0124 1 1
Schistosoma mansoni alpha tubulin 0.0124 1 1
Leishmania major beta tubulin 0.0124 1 1
Leishmania major beta tubulin 0.0124 1 1
Echinococcus granulosus alpha tubulin 0.0124 1 1
Trypanosoma brucei beta tubulin 0.0124 1 1
Loa Loa (eye worm) hypothetical protein 0.0117 0.9012 0.9012
Leishmania major beta tubulin 0.0124 1 1
Echinococcus multilocularis tubulin alpha 1C chain 0.0124 1 1
Treponema pallidum cell division protein FtsZ 0.0054 0.0705 0.5
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.007 0.2868 0.2326
Toxoplasma gondii beta-tubulin, putative 0.0124 1 1
Giardia lamblia Beta tubulin 0.0124 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0124 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0124 1 1
Leishmania major beta tubulin 0.0124 1 1
Leishmania major alpha tubulin 0.0124 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.007 0.2868 0.2326
Trichomonas vaginalis tubulin alpha chain, putative 0.007 0.2868 0.2326
Trypanosoma brucei beta tubulin 0.0124 1 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0705 0.0705
Echinococcus granulosus tubulin alpha 0.0124 1 1
Brugia malayi Tubulin alpha chain 0.0124 1 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0124 1 1
Loa Loa (eye worm) tubulin alpha-3 chain 0.0054 0.0705 0.0705
Toxoplasma gondii beta tubulin 0.0124 1 1
Giardia lamblia Beta tubulin 0.0124 1 1
Trypanosoma brucei alpha tubulin 0.0124 1 1
Plasmodium vivax tubulin alpha chain, putative 0.0124 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0124 1 1
Loa Loa (eye worm) BEN-1 protein 0.0124 1 1
Leishmania major alpha tubulin 0.0124 1 1
Leishmania major alpha tubulin 0.0124 1 1
Schistosoma mansoni tubulin subunit delta 0.0054 0.0705 0.0705
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0054 0.0705 0.5
Trichomonas vaginalis tubulin, putative 0.0124 1 1
Trypanosoma brucei beta tubulin 0.0124 1 1
Brugia malayi Cell division protein ftsZ 0.0054 0.0705 0.0705
Plasmodium vivax tubulin beta chain, putative 0.0124 1 1
Loa Loa (eye worm) hypothetical protein 0.0124 1 1
Echinococcus granulosus tubulin subunit beta 0.0124 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0124 1 1
Trypanosoma brucei alpha tubulin, putative 0.007 0.2868 0.2326
Loa Loa (eye worm) tubulin alpha 2 0.007 0.2868 0.2868
Echinococcus granulosus Tubulin beta 2C chain 0.0124 1 1
Brugia malayi Tubulin beta-1 chain 0.0124 1 1
Echinococcus multilocularis tubulin subunit beta 0.0124 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0124 1 1
Loa Loa (eye worm) tubulin alpha chain 0.0124 1 1
Echinococcus multilocularis tubulin alpha 3 chain 0.0124 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0124 1 1
Leishmania major epsilon tubulin, putative 0.0124 1 1
Echinococcus multilocularis tubulin alpha 0.0124 1 1
Loa Loa (eye worm) tubulin alpha 2 0.007 0.2868 0.2868
Echinococcus granulosus tubulin alpha chain 0.0124 1 1
Trichomonas vaginalis tubulin, putative 0.007 0.2868 0.2326
Plasmodium vivax tubulin alpha chain, putative 0.0124 1 1
Echinococcus multilocularis tubulin alpha 1C chain 0.0124 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.007 0.2868 0.2326
Leishmania major beta tubulin 0.0124 1 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0124 1 1
Loa Loa (eye worm) tubulin beta-2A chain 0.0124 1 1
Loa Loa (eye worm) tubulin alpha chain 0.0124 1 1
Leishmania major alpha tubulin 0.0124 1 1
Echinococcus granulosus tubulin epsilon chain 0.0124 1 1
Echinococcus multilocularis tubulin alpha chain 0.0124 1 1
Echinococcus granulosus tubulin beta 4A class IVa 0.0124 1 1
Giardia lamblia Alpha-tubulin 0.0124 1 1
Echinococcus granulosus beta tubulin 0.0124 1 1
Giardia lamblia Alpha-tubulin 0.0124 1 1
Brugia malayi Trypsin family protein 0.0117 0.9012 0.9012
Mycobacterium ulcerans cell division protein FtsZ 0.0054 0.0705 0.5
Schistosoma mansoni tubulin subunit alpha 0.0054 0.0705 0.0705
Echinococcus granulosus tubulin alpha 1C chain 0.0124 1 1
Trichomonas vaginalis tubulin, putative 0.007 0.2868 0.2326
Echinococcus granulosus Tubulin beta 2C chain 0.0124 1 1
Loa Loa (eye worm) hypothetical protein 0.0117 0.9012 0.9012
Echinococcus multilocularis peroxisome assembly protein 26 0.0124 1 1
Trypanosoma brucei epsilon tubulin 0.0124 1 1
Echinococcus granulosus tubulin alpha chain 0.0124 1 1
Echinococcus multilocularis beta tubulin 0.0124 1 1
Schistosoma mansoni tubulin subunit beta 0.0124 1 1
Leishmania major beta tubulin 0.0124 1 1
Leishmania major beta tubulin 0.0124 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0124 1 1
Echinococcus granulosus beta tubulin 0.0124 1 1
Echinococcus multilocularis tubulin subunit TubB 0.0124 1 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0117 0.9012 0.9012
Leishmania major beta tubulin 0.0124 1 1
Echinococcus granulosus tubulin subunit TubB 0.0124 1 1
Giardia lamblia Beta tubulin 0.0124 1 1
Schistosoma mansoni tubulin subunit beta 0.0124 1 1
Toxoplasma gondii beta-1 tubulin, putative 0.0124 1 1
Leishmania major alpha tubulin 0.0124 1 1
Brugia malayi Tubulin beta chain 0.007 0.2868 0.2868
Loa Loa (eye worm) alpha-tubulin 0.0124 1 1
Plasmodium vivax tubulin epsilon chain, putative 0.0124 1 1
Leishmania major alpha tubulin 0.0124 1 1
Leishmania major gamma-tubulin 0.0124 1 1
Trypanosoma cruzi epsilon tubulin, putative 0.0124 1 1
Echinococcus multilocularis tubulin beta 1 chain 0.0124 1 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0117 0.9012 0.9012
Trichomonas vaginalis tubulin alpha chain, putative 0.0124 1 1
Echinococcus multilocularis tubulin alpha chain 0.0124 1 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0124 1 1
Brugia malayi Tubulin alpha-2 chain 0.0124 1 1
Loa Loa (eye worm) tubulin alpha-2 chain 0.0124 1 1
Onchocerca volvulus 0.0106 0.7639 0.7765
Trypanosoma brucei alpha tubulin 0.0124 1 1
Brugia malayi beta-tubulin, identical 0.0124 1 1
Loa Loa (eye worm) tubulin beta chain 0.0054 0.0705 0.0705
Entamoeba histolytica tubulin alpha chain, putative 0.0124 1 0.5
Trichomonas vaginalis tubulin alpha chain, putative 0.0124 1 1
Schistosoma mansoni tubulin subunit beta 0.0124 1 1
Brugia malayi Tubulin alpha-2 chain 0.0124 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0124 1 1
Echinococcus granulosus tubulin beta 1 chain 0.0124 1 1
Loa Loa (eye worm) alpha-tubulin 0.0124 1 1
Leishmania major alpha tubulin 0.0124 1 1
Loa Loa (eye worm) tubulin gamma chain 0.0124 1 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0124 1 1
Leishmania major beta tubulin 0.0124 1 1
Schistosoma mansoni tubulin subunit beta 0.0124 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0124 1 1
Echinococcus multilocularis tubulin gamma 1 chain 0.0124 1 1
Leishmania major alpha tubulin 0.0124 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0124 1 1
Trypanosoma brucei alpha tubulin 0.0124 1 1
Leishmania major beta tubulin 0.0124 1 1
Echinococcus multilocularis tubulin alpha chain 0.0124 1 1
Loa Loa (eye worm) BEN-1 protein 0.0124 1 1
Echinococcus multilocularis tubulin alpha chain 0.0124 1 1
Schistosoma mansoni alpha tubulin 0.0124 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0124 1 1
Leishmania major alpha tubulin 0.0124 1 1
Brugia malayi Tubulin beta chain 0.0054 0.0705 0.0705
Leishmania major beta tubulin 0.0124 1 1
Schistosoma mansoni tubulin subunit alpha 0.0124 1 1
Echinococcus granulosus tubulin alpha 3 chain 0.0124 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0124 1 1
Echinococcus granulosus tubulin alpha chain 0.0124 1 1
Trypanosoma cruzi tubulin gamma chain 0.0124 1 1
Onchocerca volvulus 0.0117 0.9012 1
Leishmania major beta tubulin 0.0124 1 1
Schistosoma mansoni tubulin subunit beta 0.0124 1 1
Trypanosoma cruzi alpha tubulin, putative 0.0124 1 1
Leishmania major alpha tubulin 0.0124 1 1
Echinococcus granulosus tubulin gamma 1 chain 0.0124 1 1
Entamoeba histolytica tubulin family protein 0.0124 1 0.5
Echinococcus multilocularis tubulin delta chain 0.0054 0.0705 0.0705
Trypanosoma brucei beta tubulin 0.0124 1 1
Loa Loa (eye worm) beta-tubulin 0.0124 1 1
Entamoeba histolytica tubulin gamma chain 0.0124 1 0.5
Echinococcus multilocularis Tubulin beta 2C chain 0.0124 1 1
Plasmodium falciparum alpha tubulin 2 0.0124 1 1
Entamoeba histolytica tubulin family protein 0.0124 1 0.5
Schistosoma mansoni tubulin subunit beta 0.0054 0.0705 0.0705
Schistosoma mansoni tubulin subunit epsilon 0.0124 1 1
Leishmania major alpha tubulin 0.0124 1 1
Schistosoma mansoni tubulin subunit gamma 0.0124 1 1
Echinococcus granulosus tubulin alpha 1C chain 0.0124 1 1
Giardia lamblia Gamma tubulin 0.0124 1 1
Plasmodium vivax tubulin gamma chain, putative 0.0124 1 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0124 1 1
Trypanosoma cruzi epsilon tubulin, putative 0.0124 1 1
Schistosoma mansoni tubulin subunit beta 0.0124 1 1
Echinococcus granulosus tubulin delta chain 0.0054 0.0705 0.0705
Echinococcus granulosus tubulin alpha 3 chain 0.0124 1 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0124 1 1
Trypanosoma brucei tubulin gamma chain 0.0124 1 1
Leishmania major beta tubulin 0.0124 1 1
Schistosoma mansoni tubulin subunit alpha 0.0124 1 1
Mycobacterium leprae cell division protein FtsZ 0.0054 0.0705 0.5
Echinococcus granulosus Tubulin alpha 1 chain 0.0124 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0124 1 1
Leishmania major beta tubulin 0.0124 1 1
Loa Loa (eye worm) tubulin beta chain 0.0124 1 1
Echinococcus granulosus tubulin alpha chain 0.0124 1 1
Entamoeba histolytica tubulin alpha-1 chain 0.0124 1 0.5
Trypanosoma brucei beta tubulin 0.0124 1 1
Plasmodium falciparum alpha tubulin 1 0.0124 1 1
Brugia malayi Tubulin alpha chain 0.0054 0.0705 0.0705
Trichomonas vaginalis tubulin beta chain, putative 0.0124 1 1
Plasmodium falciparum tubulin beta chain 0.0124 1 1
Echinococcus granulosus peroxisome assembly protein 26 0.0124 1 1
Echinococcus granulosus tubulin alpha chain 0.0124 1 1
Toxoplasma gondii alpha-tubulin I, putative 0.0124 1 1
Plasmodium falciparum tubulin gamma chain 0.0124 1 1
Loa Loa (eye worm) hypothetical protein 0.007 0.2868 0.2868
Mycobacterium tuberculosis Cell division protein FtsZ 0.0054 0.0705 0.5
Leishmania major beta tubulin 0.0124 1 1
Leishmania major beta tubulin 0.0124 1 1
Trypanosoma brucei epsilon tubulin 0.0124 1 1
Trypanosoma brucei epsilon tubulin 0.0124 1 1
Toxoplasma gondii alpha tubulin TUBA1 0.0124 1 1
Schistosoma mansoni tubulin subunit alpha 0.0124 1 1
Echinococcus multilocularis tubulin alpha chain 0.0124 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0124 1 1
Loa Loa (eye worm) tubulin beta-1 chain 0.0124 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0124 1 1
Plasmodium falciparum tubulin epsilon chain, putative 0.0124 1 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0124 1 1
Leishmania major beta tubulin 0.0124 1 1
Trypanosoma cruzi beta tubulin, putative 0.0124 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.007 0.2868 0.2326
Trypanosoma brucei alpha tubulin 0.0124 1 1
Brugia malayi tubulin alpha chain - mouse 0.0124 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0124 1 1
Schistosoma mansoni alpha tubulin 0.0124 1 1
Leishmania major beta tubulin 0.0124 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0124 1 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0124 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.007 0.2868 0.2326

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) > 10 uM Compound was evaluated for its inhibitory activity against human thrombin ChEMBL. 9873418
Ki (binding) > 10 uM Compound was evaluated for its inhibitory activity against trypsin ChEMBL. 9873418
Ki (binding) > 10 uM Compound was evaluated for its inhibitory activity against human thrombin ChEMBL. 9873418
Ki (binding) > 10 uM Compound was evaluated for its inhibitory activity against trypsin ChEMBL. 9873418

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.