TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 413.96 | Formula: C24H30ClN2O2-
H donors: 1 H acceptors: 1 LogP: 4.94 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCN1CC[C@@H]2[C@@H](C1)c1ccc(cc1[C@@H]2c1ccc(cc1)COC(=O)NC)C.[Cl-]
InChi: 1S/C24H30N2O2.ClH/c1-4-26-12-11-20-22(14-26)19-10-5-16(2)13-21(19)23(20)18-8-6-17(7-9-18)15-28-24(27)25-3;/h5-10,13,20,22-23H,4,11-12,14-15H2,1-3H3,(H,25,27);1H/p-1/t20-,22-,23+;/m1./s1
InChiKey: ZKLAIQGZQXHNNE-QKBKGCIOSA-M

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	tubulin beta chain, putative	0.0187	0.0661	0.2166
Echinococcus granulosus	tubulin alpha chain	0.0187	0.0661	0.0104
Trichomonas vaginalis	tubulin, putative	0.048	0.3051	1
Trypanosoma brucei	beta tubulin	0.0187	0.0661	0.2166
Echinococcus multilocularis	hypothetical protein	0.0187	0.0661	0.0104
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0187	0.0661	0.0104
Echinococcus multilocularis	Tubulin beta 2C chain	0.048	0.3051	0.2637
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0187	0.0661	0.2166
Leishmania major	beta tubulin	0.048	0.3051	1
Leishmania major	beta tubulin	0.048	0.3051	1
Echinococcus granulosus	tubulin gamma 1 chain	0.0187	0.0661	0.0104
Trypanosoma brucei	beta tubulin	0.048	0.3051	1
Echinococcus multilocularis	tubulin alpha 1C chain	0.0187	0.0661	0.0104
Plasmodium vivax	tubulin beta chain, putative	0.048	0.3051	1
Entamoeba histolytica	tubulin family protein	0.048	0.3051	1
Loa Loa (eye worm)	BEN-1 protein	0.048	0.3051	1
Echinococcus granulosus	tubulin alpha 1C chain	0.0187	0.0661	0.0104
Echinococcus granulosus	Tubulin beta 2C chain	0.048	0.3051	0.2637
Giardia lamblia	Beta tubulin	0.048	0.3051	1
Trypanosoma brucei	beta tubulin	0.048	0.3051	1
Echinococcus granulosus	tubulin epsilon chain	0.0187	0.0661	0.0104
Echinococcus multilocularis	tubulin gamma 1 chain	0.0187	0.0661	0.0104
Leishmania major	beta tubulin	0.048	0.3051	1
Echinococcus multilocularis	peroxisome assembly protein 26	0.0187	0.0661	0.0104
Echinococcus multilocularis	tubulin subunit TubB	0.0187	0.0661	0.0104
Trypanosoma brucei	alpha tubulin	0.0187	0.0661	0.2166
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0996	0.7261	0.7098
Toxoplasma gondii	beta-1 tubulin, putative	0.048	0.3051	1
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.048	0.3051	0.2637
Echinococcus granulosus	tubulin alpha 1C chain	0.0187	0.0661	0.0104
Loa Loa (eye worm)	tubulin beta-4 chain	0.048	0.3051	1
Schistosoma mansoni	tubulin subunit beta	0.048	0.3051	0.2637
Loa Loa (eye worm)	hypothetical protein	0.0175	0.0562	0.1843
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0377	0.2212	0.5867
Loa Loa (eye worm)	hypothetical protein	0.0377	0.2212	0.7251
Leishmania major	beta tubulin	0.048	0.3051	1
Trypanosoma brucei	epsilon tubulin	0.0187	0.0661	0.2166
Leishmania major	beta tubulin	0.048	0.3051	1
Trypanosoma brucei	alpha tubulin	0.0187	0.0661	0.2166
Schistosoma mansoni	alpha tubulin	0.0187	0.0661	0.0104
Trichomonas vaginalis	tubulin gamma chain, putative	0.0187	0.0661	0.2166
Trypanosoma brucei	epsilon tubulin	0.0187	0.0661	0.2166
Loa Loa (eye worm)	tubulin beta-2A chain	0.048	0.3051	1
Echinococcus multilocularis	tubulin alpha chain	0.0187	0.0661	0.0104
Echinococcus multilocularis	tubulin subunit beta	0.048	0.3051	0.2637
Echinococcus granulosus	tubulin alpha	0.0187	0.0661	0.0104
Brugia malayi	Tubulin alpha chain	0.0187	0.0661	0.1752
Trichomonas vaginalis	tubulin epsilon chain, putative	0.048	0.3051	1
Echinococcus granulosus	Tubulin beta 2C chain	0.048	0.3051	0.2637
Echinococcus granulosus	Tubulin beta 2C chain	0.048	0.3051	0.2637
Schistosoma mansoni	tubulin subunit beta	0.048	0.3051	0.2637
Brugia malayi	Serotonin receptor	0.0568	0.3771	1
Loa Loa (eye worm)	hypothetical protein	0.0377	0.2212	0.7251
Brugia malayi	tubulin alpha chain - mouse	0.0187	0.0661	0.1752
Brugia malayi	tubulin alpha-2 chain	0.0187	0.0661	0.1752
Brugia malayi	Tubulin alpha-2 chain	0.0187	0.0661	0.1752
Trypanosoma brucei	beta tubulin	0.048	0.3051	1
Leishmania major	beta tubulin	0.048	0.3051	1
Leishmania major	beta tubulin	0.048	0.3051	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0187	0.0661	0.0104
Trichomonas vaginalis	tubulin beta chain, putative	0.0187	0.0661	0.2166
Schistosoma mansoni	alpha tubulin	0.0187	0.0661	0.0104
Schistosoma mansoni	tubulin subunit alpha	0.0187	0.0661	0.0104
Entamoeba histolytica	tubulin family protein	0.048	0.3051	1
Loa Loa (eye worm)	tubulin gamma chain	0.0187	0.0661	0.2166
Leishmania major	beta tubulin	0.048	0.3051	1
Giardia lamblia	Beta tubulin	0.048	0.3051	1
Echinococcus multilocularis	tubulin epsilon chain	0.0187	0.0661	0.0104
Schistosoma mansoni	tubulin subunit epsilon	0.0187	0.0661	0.0104
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.1332	1	1
Echinococcus granulosus	tubulin subunit TubB	0.0187	0.0661	0.0104
Echinococcus granulosus	tubulin beta 1 chain	0.048	0.3051	0.2637
Schistosoma mansoni	tubulin subunit beta	0.048	0.3051	0.2637
Schistosoma mansoni	alpha tubulin	0.0187	0.0661	0.0104
Trypanosoma brucei	tubulin gamma chain	0.0187	0.0661	0.2166
Echinococcus multilocularis	Tubulin beta 2C chain	0.048	0.3051	0.2637
Echinococcus multilocularis	tubulin alpha chain	0.0187	0.0661	0.0104
Loa Loa (eye worm)	hypothetical protein	0.0187	0.0661	0.2166
Echinococcus granulosus	alpha tubulin	0.0187	0.0661	0.0104
Echinococcus granulosus	beta tubulin	0.048	0.3051	0.2637
Trypanosoma brucei	alpha tubulin	0.0187	0.0661	0.2166
Trichomonas vaginalis	tubulin gamma chain, putative	0.048	0.3051	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0187	0.0661	0.0104
Echinococcus multilocularis	tubulin alpha 3 chain	0.0187	0.0661	0.0104
Schistosoma mansoni	tubulin subunit gamma	0.0187	0.0661	0.0104
Schistosoma mansoni	tubulin subunit beta	0.048	0.3051	0.2637
Schistosoma mansoni	tubulin subunit beta	0.048	0.3051	0.2637
Leishmania major	beta tubulin	0.048	0.3051	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0187	0.0661	0.2166
Trichomonas vaginalis	tubulin beta chain, putative	0.0187	0.0661	0.2166
Trichomonas vaginalis	tubulin beta chain, putative	0.0187	0.0661	0.2166
Plasmodium falciparum	tubulin beta chain	0.048	0.3051	1
Leishmania major	beta tubulin	0.048	0.3051	1
Brugia malayi	Tubulin gamma chain	0.0187	0.0661	0.1752
Loa Loa (eye worm)	tubulin alpha chain	0.0187	0.0661	0.2166
Echinococcus multilocularis	Tubulin beta 2C chain	0.048	0.3051	0.2637
Leishmania major	beta tubulin	0.048	0.3051	1
Schistosoma mansoni	biogenic amine (5HT) receptor	0.1332	1	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0187	0.0661	0.0104
Trichomonas vaginalis	tubulin alpha chain, putative	0.0187	0.0661	0.2166
Loa Loa (eye worm)	tubulin alpha chain	0.0187	0.0661	0.2166
Trypanosoma cruzi	beta tubulin, putative	0.048	0.3051	1
Leishmania major	beta tubulin	0.048	0.3051	1
Echinococcus granulosus	tubulin beta 4A class IVa	0.048	0.3051	0.2637
Schistosoma mansoni	tubulin subunit beta	0.048	0.3051	0.2637
Echinococcus multilocularis	beta tubulin	0.048	0.3051	0.2637
Leishmania major	beta tubulin	0.048	0.3051	1
Loa Loa (eye worm)	beta-tubulin	0.048	0.3051	1
Echinococcus granulosus	Tubulin beta 2C chain	0.048	0.3051	0.2637
Trypanosoma brucei	beta tubulin	0.048	0.3051	1
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0187	0.0661	0.2166
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0377	0.2212	0.1748
Schistosoma mansoni	tubulin subunit alpha	0.0187	0.0661	0.0104
Echinococcus multilocularis	Tubulin beta 2C chain	0.048	0.3051	0.2637
Echinococcus granulosus	tubulin alpha 3 chain	0.0187	0.0661	0.0104
Brugia malayi	alpha-tubulin	0.0187	0.0661	0.1752
Echinococcus granulosus	beta tubulin	0.048	0.3051	0.2637
Leishmania major	beta tubulin	0.048	0.3051	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0187	0.0661	0.0104
Toxoplasma gondii	beta-tubulin, putative	0.048	0.3051	1
Schistosoma mansoni	tubulin subunit alpha	0.0187	0.0661	0.0104
Onchocerca volvulus		0.0106	0	0.5
Loa Loa (eye worm)	tubulin beta-1 chain	0.048	0.3051	1
Giardia lamblia	Beta tubulin	0.048	0.3051	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0187	0.0661	0.2166
Trichomonas vaginalis	tubulin alpha chain, putative	0.048	0.3051	1
Echinococcus granulosus	tubulin alpha chain	0.0187	0.0661	0.0104
Echinococcus granulosus	tubulin alpha 3 chain	0.0187	0.0661	0.0104
Echinococcus granulosus	tubulin alpha chain	0.0187	0.0661	0.0104
Echinococcus granulosus	tubulin subunit beta	0.048	0.3051	0.2637
Echinococcus multilocularis	tubulin alpha chain	0.0187	0.0661	0.0104
Leishmania major	beta tubulin	0.048	0.3051	1
Echinococcus multilocularis	tubulin alpha 3 chain	0.0187	0.0661	0.0104
Trichomonas vaginalis	tubulin beta chain, putative	0.048	0.3051	1
Echinococcus granulosus	tm gpcr rhodopsin	0.0996	0.7261	0.7098
Echinococcus multilocularis	beta tubulin	0.048	0.3051	0.2637
Echinococcus multilocularis	tubulin beta 1 chain	0.048	0.3051	0.2637
Loa Loa (eye worm)	tubulin beta chain	0.048	0.3051	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.0187	0.0661	0.2166
Brugia malayi	beta-tubulin, identical	0.048	0.3051	0.8091
Echinococcus multilocularis	tubulin alpha chain	0.0187	0.0661	0.0104
Toxoplasma gondii	beta tubulin	0.048	0.3051	1
Loa Loa (eye worm)	BEN-1 protein	0.048	0.3051	1
Echinococcus multilocularis	tubulin alpha chain	0.0187	0.0661	0.0104
Loa Loa (eye worm)	alpha-tubulin	0.0187	0.0661	0.2166
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0187	0.0661	0.0104
Echinococcus granulosus	peroxisome assembly protein 26	0.0187	0.0661	0.0104
Leishmania major	beta tubulin	0.048	0.3051	1
Leishmania major	beta tubulin	0.048	0.3051	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.048	0.3051	0.2637
Brugia malayi	Tubulin alpha-2 chain	0.0187	0.0661	0.1752
Trichomonas vaginalis	tubulin epsilon chain, putative	0.048	0.3051	1
Echinococcus granulosus	tubulin alpha chain	0.0187	0.0661	0.0104
Echinococcus granulosus	Tubulin beta 2C chain	0.048	0.3051	0.2637
Trichomonas vaginalis	tubulin beta chain, putative	0.0187	0.0661	0.2166
Trypanosoma brucei	alpha tubulin	0.0187	0.0661	0.2166
Loa Loa (eye worm)	hypothetical protein	0.0175	0.0562	0.1843
Echinococcus multilocularis	tubulin alpha	0.0187	0.0661	0.0104
Leishmania major	beta tubulin	0.048	0.3051	1
Loa Loa (eye worm)	alpha-tubulin	0.0187	0.0661	0.2166
Trypanosoma brucei	epsilon tubulin	0.0187	0.0661	0.2166
Echinococcus multilocularis	tubulin alpha 1C chain	0.0187	0.0661	0.0104
Brugia malayi	Tubulin beta-1 chain	0.048	0.3051	0.8091
Echinococcus granulosus	tubulin alpha chain	0.0187	0.0661	0.0104
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0187	0.0661	0.2166

Activities

Activity type	Activity value	Assay description	Source	Reference
Reduction (functional)	= 7 %	Tested for its effect on testes weight 3 days after single oral dose (90 mg/kg)	ChEMBL.	7877141
Reduction (functional)	= 8 %	Tested for its effect on spermatogenic index 3 days after single oral dose (90 mg/kg) ,	ChEMBL.	7877141

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

ChEMBL: 373456

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.

Detailed information for compound 281717