Detailed information for compound 1722942

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 298.423 | Formula: C19H26N2O
  • H donors: 0 H acceptors: 2 LogP: 3.16 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(C(=O)C12CC3CC(C2)CC(C1)C3)Cc1cccc(n1)C
  • InChi: 1S/C19H26N2O/c1-13-4-3-5-17(20-13)12-21(2)18(22)19-9-14-6-15(10-19)8-16(7-14)11-19/h3-5,14-16H,6-12H2,1-2H3
  • InChiKey: BBLGJBFMUMFXQW-UHFFFAOYSA-N  

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
Leishmania major alpha tubulin 0.0187 0.3745 0.3745
Echinococcus granulosus tubulin alpha chain 0.0187 0.3745 0.3733
Toxoplasma gondii ABC1 family protein 0.0036 0.0081 0.0081
Trypanosoma brucei epsilon tubulin 0.0179 0.3551 0.3551
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0019 0.0019
Echinococcus multilocularis tubulin alpha chain 0.0187 0.3745 0.3733
Echinococcus granulosus alpha tubulin 0.0187 0.3745 0.3733
Mycobacterium tuberculosis Cell division protein FtsZ 0.0078 0.11 0.2195
Trypanosoma brucei alpha tubulin 0.0187 0.3745 0.3745
Echinococcus granulosus Tubulin alpha 1 chain 0.0187 0.3745 0.3733
Trichomonas vaginalis tubulin alpha chain, putative 0.0101 0.1671 0.1671
Trypanosoma cruzi epsilon tubulin, putative 0.0179 0.3551 0.3551
Trichomonas vaginalis tubulin gamma chain, putative 0.0078 0.11 0.11
Echinococcus granulosus Tubulin alpha 1 chain 0.0187 0.3745 0.3733
Trypanosoma brucei tubulin gamma chain 0.0179 0.3551 0.3551
Giardia lamblia Alpha-tubulin 0.0187 0.3745 0.2972
Entamoeba histolytica hypothetical protein 0.0042 0.0237 0.0237
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0086 0.1294 0.1294
Brugia malayi MH2 domain containing protein 0.014 0.2597 0.2583
Loa Loa (eye worm) hypothetical protein 0.0036 0.0081 0.0062
Echinococcus multilocularis tubulin alpha 3 chain 0.0187 0.3745 0.3733
Loa Loa (eye worm) hypothetical protein 0.0036 0.0081 0.0062
Plasmodium vivax tubulin epsilon chain, putative 0.0179 0.3551 0.3499
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.11 0.11
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0081 0.0081
Schistosoma mansoni hypothetical protein 0.0034 0.0035 0.0016
Leishmania major epsilon tubulin, putative 0.0179 0.3551 0.3551
Trypanosoma cruzi zeta tubulin, putative 0.0078 0.11 0.11
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0081 0.0062
Echinococcus multilocularis tubulin alpha 1C chain 0.0187 0.3745 0.3733
Echinococcus granulosus tubulin subunit TubB 0.0187 0.3745 0.3733
Entamoeba histolytica hypothetical protein 0.0042 0.0237 0.0237
Trypanosoma brucei alpha tubulin 0.0187 0.3745 0.3745
Trichomonas vaginalis tubulin gamma chain, putative 0.0179 0.3551 0.3551
Echinococcus multilocularis tubulin alpha 3 chain 0.0187 0.3745 0.3733
Trichomonas vaginalis esterase, putative 0.0036 0.0081 0.0081
Trichomonas vaginalis tubulin, putative 0.0101 0.1671 0.1671
Echinococcus multilocularis peroxisome assembly protein 26 0.0187 0.3745 0.3733
Trypanosoma brucei alpha tubulin 0.0187 0.3745 0.3745
Entamoeba histolytica tubulin alpha-1 chain 0.0187 0.3745 0.3745
Trypanosoma cruzi tubulin gamma chain 0.0179 0.3551 0.3551
Leishmania major delta tubulin, putative 0.0078 0.11 0.11
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0081 0.0062
Trypanosoma brucei zeta tubulin, putative 0.0078 0.11 0.11
Echinococcus granulosus tubulin alpha 1C chain 0.0187 0.3745 0.3733
Loa Loa (eye worm) MH2 domain-containing protein 0.014 0.2597 0.2583
Echinococcus granulosus tubulin alpha chain 0.0187 0.3745 0.3733
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.0237 0.0219
Plasmodium vivax tubulin alpha chain, putative 0.0187 0.3745 0.3694
Loa Loa (eye worm) hypothetical protein 0.0086 0.1294 0.1278
Leishmania major alpha tubulin 0.0187 0.3745 0.3745
Trichomonas vaginalis tubulin beta chain, putative 0.0187 0.3745 0.3745
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0081 0.0081
Trypanosoma cruzi tubulin delta chain 0.0078 0.11 0.11
Trypanosoma brucei epsilon tubulin 0.0179 0.3551 0.3551
Brugia malayi alpha-tubulin 0.0187 0.3745 0.3733
Echinococcus multilocularis tubulin delta chain 0.0078 0.11 0.1084
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.11 0.11
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0035 0.0016
Echinococcus multilocularis tubulin epsilon chain 0.0179 0.3551 0.3539
Onchocerca volvulus 0.0101 0.1671 1
Trichomonas vaginalis rotamase, putative 0.0033 0.0019 0.0019
Trypanosoma cruzi alpha tubulin, putative 0.0187 0.3745 0.3745
Echinococcus granulosus tubulin alpha chain 0.0187 0.3745 0.3733
Loa Loa (eye worm) tubulin alpha 2 0.0109 0.1864 0.1849
Schistosoma mansoni tubulin subunit alpha 0.0187 0.3745 0.3733
Leishmania major alpha tubulin 0.0187 0.3745 0.3745
Plasmodium falciparum tubulin epsilon chain, putative 0.0179 0.3551 0.2754
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.0237 0.0219
Loa Loa (eye worm) hypothetical protein 0.0049 0.0412 0.0394
Trypanosoma brucei tubulin delta chain 0.0078 0.11 0.11
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0412 0.0394
Loa Loa (eye worm) tubulin alpha-3 chain 0.0086 0.1294 0.1278
Schistosoma mansoni tubulin subunit delta 0.0078 0.11 0.1084
Loa Loa (eye worm) hypothetical protein 0.0036 0.0081 0.0062
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0081 0.0081
Brugia malayi Tubulin gamma chain 0.0179 0.3551 0.3539
Trichomonas vaginalis tubulin beta chain, putative 0.0187 0.3745 0.3745
Trichomonas vaginalis tubulin beta-1 chain, putative 0.0078 0.11 0.11
Trypanosoma brucei alpha tubulin, putative 0.0101 0.1671 0.1671
Trichomonas vaginalis tubulin alpha chain, putative 0.0101 0.1671 0.1671
Schistosoma mansoni tubulin subunit gamma 0.0179 0.3551 0.3539
Trichomonas vaginalis tubulin epsilon chain, putative 0.0187 0.3745 0.3745
Brugia malayi tubulin alpha-2 chain 0.0187 0.3745 0.3733
Loa Loa (eye worm) beta-lactamase 0.0036 0.0081 0.0062
Leishmania major hypothetical protein, conserved 0.0036 0.0081 0.0081
Brugia malayi beta-lactamase family protein 0.0036 0.0081 0.0062
Echinococcus granulosus tubulin alpha chain 0.0187 0.3745 0.3733
Echinococcus granulosus tubulin gamma 1 chain 0.0179 0.3551 0.3539
Brugia malayi tubulin alpha chain - mouse 0.0187 0.3745 0.3733
Treponema pallidum cell division protein FtsZ 0.0078 0.11 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0081 0.0062
Schistosoma mansoni alpha tubulin 0.0187 0.3745 0.3733
Loa Loa (eye worm) tubulin alpha 2 0.0109 0.1864 0.1849
Plasmodium falciparum alpha tubulin 1 0.0187 0.3745 0.2972
Echinococcus granulosus tubulin alpha 0.0179 0.3551 0.3539
Leishmania major alpha tubulin 0.0187 0.3745 0.3745
Trypanosoma cruzi tubulin delta chain 0.0078 0.11 0.11
Loa Loa (eye worm) tubulin beta chain 0.0078 0.11 0.1084
Trypanosoma cruzi zeta tubulin, putative 0.0078 0.11 0.11
Echinococcus multilocularis tubulin gamma 1 chain 0.0179 0.3551 0.3539
Trypanosoma brucei zeta tubulin 0.0078 0.11 0.11
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0081 0.0081
Schistosoma mansoni alpha tubulin 0.0187 0.3745 0.3733
Plasmodium falciparum alpha tubulin 2 0.0187 0.3745 0.2972
Schistosoma mansoni tubulin subunit alpha 0.0187 0.3745 0.3733
Loa Loa (eye worm) alpha-tubulin 0.0187 0.3745 0.3733
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0078 0.11 0.11
Leishmania major alpha tubulin 0.0187 0.3745 0.3745
Brugia malayi Cell division protein ftsZ 0.0078 0.11 0.1084
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0412 0.0394
Loa Loa (eye worm) hypothetical protein 0.0036 0.0081 0.0062
Loa Loa (eye worm) hypothetical protein 0.0187 0.3745 0.3733
Trichomonas vaginalis tubulin beta chain, putative 0.0187 0.3745 0.3745
Trichomonas vaginalis tubulin gamma chain, putative 0.0179 0.3551 0.3551
Leishmania major alpha tubulin 0.0187 0.3745 0.3745
Leishmania major alpha tubulin 0.0187 0.3745 0.3745
Loa Loa (eye worm) transcription factor SMAD2 0.014 0.2597 0.2583
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.0237 0.0219
Plasmodium vivax tubulin gamma chain, putative 0.0179 0.3551 0.3499
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0081 0.0062
Echinococcus multilocularis Tubulin alpha 1 chain 0.0187 0.3745 0.3733
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0187 0.3745 0.3745
Mycobacterium ulcerans cell division protein FtsZ 0.0078 0.11 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0101 0.1671 0.1671
Plasmodium vivax delta tubulin, putative 0.0078 0.11 0.1028
Echinococcus multilocularis tubulin alpha chain 0.0187 0.3745 0.3733
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0101 0.1671 0.1671
Trichomonas vaginalis tubulin, putative 0.0101 0.1671 0.1671
Trichomonas vaginalis tubulin beta chain, putative 0.0101 0.1671 0.1671
Brugia malayi beta-lactamase 0.0036 0.0081 0.0062
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0081 0.0081
Entamoeba histolytica hypothetical protein 0.0042 0.0237 0.0237
Echinococcus granulosus tubulin alpha 3 chain 0.0187 0.3745 0.3733
Loa Loa (eye worm) hypothetical protein 0.0034 0.0035 0.0016
Brugia malayi hypothetical protein 0.0042 0.0237 0.0219
Entamoeba histolytica tubulin alpha chain, putative 0.0187 0.3745 0.3745
Loa Loa (eye worm) hypothetical protein 0.0036 0.0081 0.0062
Leishmania major zeta tubulin, putative 0.0078 0.11 0.11
Mycobacterium leprae cell division protein FtsZ 0.0078 0.11 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0412 0.0394
Brugia malayi Tubulin alpha chain 0.0078 0.11 0.1084
Loa Loa (eye worm) tubulin gamma chain 0.0179 0.3551 0.3539
Brugia malayi beta-lactamase family protein 0.0036 0.0081 0.0062
Schistosoma mansoni tubulin subunit alpha 0.0078 0.11 0.1084
Echinococcus granulosus tubulin alpha 3 chain 0.0187 0.3745 0.3733
Loa Loa (eye worm) alpha-tubulin 0.0187 0.3745 0.3733
Echinococcus multilocularis Tubulin alpha 1 chain 0.0187 0.3745 0.3733
Plasmodium vivax tubulin alpha chain, putative 0.0187 0.3745 0.3694
Echinococcus granulosus tubulin alpha 1C chain 0.0187 0.3745 0.3733
Echinococcus granulosus tubulin epsilon chain 0.0179 0.3551 0.3539
Echinococcus granulosus tubulin alpha chain 0.0187 0.3745 0.3733
Trypanosoma brucei alpha tubulin 0.0187 0.3745 0.3745
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0081 0.0062
Leishmania major alpha tubulin 0.0187 0.3745 0.3745
Entamoeba histolytica tubulin gamma chain 0.0179 0.3551 0.3551
Schistosoma mansoni tubulin subunit alpha 0.0187 0.3745 0.3733
Loa Loa (eye worm) tubulin alpha chain 0.0187 0.3745 0.3733
Leishmania major alpha tubulin 0.0187 0.3745 0.3745
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0081 0.0081
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0227 0.4724 1
Schistosoma mansoni hypothetical protein 0.0042 0.0237 0.0219
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0081 0.0062
Echinococcus granulosus Tubulin alpha 1 chain 0.0187 0.3745 0.3733
Leishmania major alpha tubulin 0.0187 0.3745 0.3745
Trypanosoma cruzi epsilon tubulin, putative 0.0179 0.3551 0.3551
Echinococcus granulosus peroxisome assembly protein 26 0.0187 0.3745 0.3733
Brugia malayi Tubulin alpha-2 chain 0.0187 0.3745 0.3733
Giardia lamblia Gamma tubulin 0.0179 0.3551 0.2754
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0109 0.1864 0.1849
Loa Loa (eye worm) hypothetical protein 0.0109 0.1864 0.1849
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0109 0.1864 0.1864
Trypanosoma brucei epsilon tubulin 0.0179 0.3551 0.3551
Trichomonas vaginalis tubulin alpha chain, putative 0.0179 0.3551 0.3551
Trypanosoma brucei beta tubulin 0.0179 0.3551 0.3551
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0078 0.11 0.11
Brugia malayi Tubulin beta chain 0.0101 0.1671 0.1655
Echinococcus granulosus tubulin delta chain 0.0078 0.11 0.1084
Entamoeba histolytica hypothetical protein 0.0042 0.0237 0.0237
Loa Loa (eye worm) tubulin alpha-2 chain 0.0187 0.3745 0.3733
Schistosoma mansoni tubulin subunit epsilon 0.0179 0.3551 0.3539
Echinococcus multilocularis tubulin alpha 1C chain 0.0187 0.3745 0.3733
Leishmania major alpha tubulin 0.0187 0.3745 0.3745
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0081 0.0081
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0081 0.0081
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0179 0.3551 0.3551
Loa Loa (eye worm) tubulin alpha chain 0.0187 0.3745 0.3733
Echinococcus multilocularis tubulin alpha chain 0.0187 0.3745 0.3733
Toxoplasma gondii alpha-tubulin I, putative 0.0187 0.3745 0.3745
Echinococcus multilocularis Tubulin alpha 1 chain 0.0187 0.3745 0.3733
Echinococcus multilocularis tubulin alpha chain 0.0187 0.3745 0.3733
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0078 0.11 0.5
Plasmodium falciparum tubulin gamma chain 0.0179 0.3551 0.2754
Trichomonas vaginalis tubulin epsilon chain, putative 0.0187 0.3745 0.3745
Echinococcus multilocularis tubulin alpha 0.0179 0.3551 0.3539
Loa Loa (eye worm) hypothetical protein 0.0036 0.0081 0.0062
Trichomonas vaginalis tubulin, putative 0.0078 0.11 0.11
Brugia malayi Tubulin beta chain 0.0078 0.11 0.1084
Echinococcus multilocularis tubulin alpha chain 0.0187 0.3745 0.3733
Brugia malayi Tubulin alpha-2 chain 0.0187 0.3745 0.3733
Echinococcus multilocularis tubulin subunit TubB 0.0187 0.3745 0.3733
Leishmania major gamma-tubulin 0.0179 0.3551 0.3551
Brugia malayi Tubulin alpha chain 0.0187 0.3745 0.3733
Schistosoma mansoni tubulin subunit beta 0.0078 0.11 0.1084
Trichomonas vaginalis tubulin beta chain, putative 0.0187 0.3745 0.3745
Trichomonas vaginalis tubulin beta chain, putative 0.0187 0.3745 0.3745
Trichomonas vaginalis tubulin epsilon chain, putative 0.0078 0.11 0.11
Schistosoma mansoni alpha tubulin 0.0187 0.3745 0.3733
Giardia lamblia Alpha-tubulin 0.0187 0.3745 0.2972
Echinococcus multilocularis hypothetical protein 0.0187 0.3745 0.3733
Toxoplasma gondii alpha tubulin TUBA1 0.0187 0.3745 0.3745
Trichomonas vaginalis tubulin beta chain, putative 0.0187 0.3745 0.3745
Leishmania major alpha tubulin 0.0187 0.3745 0.3745

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) Inhibition of human 17beta-HSD1 in human T47D cells assessed as conversion of [3H]E1 to [3H]E2 at 10 uM after 30 mins ChEMBL. 23040895
Inhibition (binding) Inhibition of human 11beta-HSD2 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol at 10 uM after 2 hrs ChEMBL. 23040895
Inhibition (binding) = 48 % Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol at 1 uM after 2 hrs by scintillation counting ChEMBL. 23040895

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.

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