TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 374.307 | Formula: C20H21Cl2N3
H donors: 0 H acceptors: 2 LogP: 6.04 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CCc1nc2c(n1C(C1CCC1)C)nccc2c1ccc(cc1Cl)Cl
InChi: 1S/C20H21Cl2N3/c1-3-18-24-19-16(15-8-7-14(21)11-17(15)22)9-10-23-20(19)25(18)12(2)13-5-4-6-13/h7-13H,3-6H2,1-2H3
InChiKey: LXIJMCYSPGOIKM-UHFFFAOYSA-N

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

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Corticotropin releasing factor receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Onchocerca volvulus	Pseudouridine-5 prime-monophosphatase homolog	Corticotropin releasing factor receptor	411 aa	402 aa	27.6 %
Onchocerca volvulus		Corticotropin releasing factor receptor	411 aa	388 aa	31.2 %
Loa Loa (eye worm)	hypothetical protein	Corticotropin releasing factor receptor	411 aa	330 aa	22.7 %
Loa Loa (eye worm)	hypothetical protein	Corticotropin releasing factor receptor	411 aa	394 aa	29.4 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	Corticotropin releasing factor receptor	411 aa	400 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	beta-tubulin	0.0531	1	1
Brugia malayi	Tubulin alpha-2 chain	0.0392	0.6589	0.6589
Giardia lamblia	Beta tubulin	0.0531	1	1
Plasmodium falciparum	tubulin gamma chain	0.0284	0.3935	0.3935
Echinococcus granulosus	tubulin alpha chain	0.0392	0.6589	0.6589
Loa Loa (eye worm)	tubulin alpha 2	0.0269	0.357	0.357
Leishmania major	alpha tubulin	0.0392	0.6589	0.6589
Trypanosoma brucei	tubulin gamma chain	0.0284	0.3935	0.3935
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0392	0.6589	0.6589
Trypanosoma brucei	epsilon tubulin	0.0284	0.3935	0.3935
Leishmania major	beta tubulin	0.0531	1	1
Echinococcus multilocularis	tubulin alpha chain	0.0392	0.6589	0.6589
Echinococcus multilocularis	peroxisome assembly protein 26	0.0392	0.6589	0.6589
Loa Loa (eye worm)	tubulin beta-4 chain	0.0531	1	1
Leishmania major	beta tubulin	0.0531	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0392	0.6589	0.6589
Entamoeba histolytica	tubulin family protein	0.0531	1	1
Leishmania major	beta tubulin	0.0531	1	1
Schistosoma mansoni	tubulin subunit beta	0.0531	1	1
Giardia lamblia	Alpha-tubulin	0.0392	0.6589	0.6589
Trypanosoma brucei	alpha tubulin	0.0392	0.6589	0.6589
Toxoplasma gondii	beta-tubulin, putative	0.0531	1	1
Echinococcus granulosus	tubulin beta 1 chain	0.0531	1	1
Trypanosoma cruzi	alpha tubulin, putative	0.0392	0.6589	0.6589
Echinococcus multilocularis	tubulin gamma 1 chain	0.0284	0.3935	0.3935
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0531	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0531	1	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0392	0.6589	0.6589
Echinococcus granulosus	Tubulin alpha 1 chain	0.0392	0.6589	0.6589
Echinococcus granulosus	tubulin alpha 3 chain	0.0392	0.6589	0.6589
Trichomonas vaginalis	tubulin beta chain, putative	0.0531	1	1
Mycobacterium leprae	cell division protein FtsZ	0.0123	0	0.5
Echinococcus multilocularis	tubulin alpha chain	0.0392	0.6589	0.6589
Echinococcus granulosus	tubulin epsilon chain	0.0284	0.3935	0.3935
Toxoplasma gondii	alpha-tubulin I, putative	0.0392	0.6589	0.6589
Schistosoma mansoni	tubulin subunit beta	0.0531	1	1
Echinococcus multilocularis	tubulin alpha	0.0284	0.3935	0.3935
Trypanosoma brucei	beta tubulin	0.0531	1	1
Leishmania major	alpha tubulin	0.0392	0.6589	0.6589
Echinococcus multilocularis	tubulin alpha 1C chain	0.0392	0.6589	0.6589
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0392	0.6589	0.6589
Leishmania major	alpha tubulin	0.0392	0.6589	0.6589
Plasmodium falciparum	alpha tubulin 2	0.0392	0.6589	0.6589
Echinococcus granulosus	Tubulin beta 2C chain	0.0531	1	1
Trypanosoma brucei	beta tubulin	0.0284	0.3935	0.3935
Trypanosoma brucei	beta tubulin	0.0531	1	1
Loa Loa (eye worm)	tubulin alpha chain	0.0392	0.6589	0.6589
Echinococcus multilocularis	Tubulin beta 2C chain	0.0531	1	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0392	0.6589	0.6589
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0284	0.3935	0.3935
Echinococcus granulosus	tubulin beta 4A class IVa	0.0531	1	1
Loa Loa (eye worm)	alpha-tubulin	0.0392	0.6589	0.6589
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0392	0.6589	0.6589
Plasmodium vivax	tubulin alpha chain, putative	0.0392	0.6589	0.6589
Echinococcus granulosus	Tubulin beta 2C chain	0.0531	1	1
Echinococcus granulosus	peroxisome assembly protein 26	0.0392	0.6589	0.6589
Schistosoma mansoni	alpha tubulin	0.0392	0.6589	0.6589
Plasmodium falciparum	tubulin beta chain	0.0531	1	1
Toxoplasma gondii	alpha tubulin TUBA1	0.0392	0.6589	0.6589
Echinococcus granulosus	tubulin alpha chain	0.0392	0.6589	0.6589
Leishmania major	beta tubulin	0.0531	1	1
Schistosoma mansoni	tubulin subunit beta	0.0531	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0392	0.6589	0.6589
Leishmania major	beta tubulin	0.0531	1	1
Plasmodium vivax	tubulin alpha chain, putative	0.0392	0.6589	0.6589
Trichomonas vaginalis	tubulin, putative	0.016	0.0915	0.0915
Leishmania major	alpha tubulin	0.0392	0.6589	0.6589
Leishmania major	beta tubulin	0.0531	1	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0392	0.6589	0.6589
Echinococcus multilocularis	Tubulin beta 2C chain	0.0531	1	1
Echinococcus granulosus	beta tubulin	0.0531	1	1
Echinococcus granulosus	tubulin gamma 1 chain	0.0284	0.3935	0.3935
Echinococcus granulosus	Tubulin beta 2C chain	0.0531	1	1
Leishmania major	alpha tubulin	0.0392	0.6589	0.6589
Schistosoma mansoni	tubulin subunit beta	0.0531	1	1
Leishmania major	beta tubulin	0.0531	1	1
Plasmodium vivax	tubulin epsilon chain, putative	0.0284	0.3935	0.3935
Loa Loa (eye worm)	hypothetical protein	0.0269	0.357	0.357
Plasmodium vivax	tubulin gamma chain, putative	0.0284	0.3935	0.3935
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0531	1	1
Schistosoma mansoni	alpha tubulin	0.0392	0.6589	0.6589
Echinococcus granulosus	tubulin alpha 1C chain	0.0392	0.6589	0.6589
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0269	0.357	0.357
Toxoplasma gondii	beta-1 tubulin, putative	0.0531	1	1
Entamoeba histolytica	tubulin alpha-1 chain	0.0392	0.6589	0.4376
Echinococcus multilocularis	tubulin alpha chain	0.0392	0.6589	0.6589
Trypanosoma brucei	epsilon tubulin	0.0284	0.3935	0.3935
Trypanosoma brucei	alpha tubulin, putative	0.016	0.0915	0.0915
Echinococcus multilocularis	tubulin beta 1 chain	0.0531	1	1
Leishmania major	epsilon tubulin, putative	0.0284	0.3935	0.3935
Leishmania major	beta tubulin	0.0531	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0531	1	1
Echinococcus granulosus	alpha tubulin	0.0392	0.6589	0.6589
Leishmania major	beta tubulin	0.0531	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0531	1	1
Leishmania major	alpha tubulin	0.0392	0.6589	0.6589
Trichomonas vaginalis	tubulin beta chain, putative	0.0392	0.6589	0.6589
Plasmodium falciparum	tubulin epsilon chain, putative	0.0284	0.3935	0.3935
Trichomonas vaginalis	tubulin alpha chain, putative	0.0531	1	1
Echinococcus granulosus	tubulin alpha chain	0.0392	0.6589	0.6589
Loa Loa (eye worm)	hypothetical protein	0.0231	0.2654	0.2654
Brugia malayi	beta-tubulin, identical	0.0531	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0531	1	1
Echinococcus granulosus	tubulin subunit beta	0.0531	1	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.016	0.0915	0.0915
Echinococcus multilocularis	tubulin alpha 3 chain	0.0392	0.6589	0.6589
Loa Loa (eye worm)	tubulin beta chain	0.0531	1	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.016	0.0915	0.0915
Giardia lamblia	Beta tubulin	0.0531	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0392	0.6589	0.6589
Trichomonas vaginalis	tubulin gamma chain, putative	0.0284	0.3935	0.3935
Mycobacterium ulcerans	cell division protein FtsZ	0.0123	0	0.5
Trichomonas vaginalis	tubulin, putative	0.016	0.0915	0.0915
Trypanosoma brucei	epsilon tubulin	0.0284	0.3935	0.3935
Leishmania major	beta tubulin	0.0531	1	1
Schistosoma mansoni	tubulin subunit alpha	0.0392	0.6589	0.6589
Echinococcus multilocularis	tubulin epsilon chain	0.0284	0.3935	0.3935
Echinococcus multilocularis	tubulin subunit TubB	0.0392	0.6589	0.6589
Loa Loa (eye worm)	tubulin gamma chain	0.0284	0.3935	0.3935
Echinococcus granulosus	tubulin alpha 1C chain	0.0392	0.6589	0.6589
Echinococcus multilocularis	tubulin alpha chain	0.0392	0.6589	0.6589
Plasmodium vivax	tubulin beta chain, putative	0.0531	1	1
Treponema pallidum	cell division protein FtsZ	0.0123	0	0.5
Leishmania major	alpha tubulin	0.0392	0.6589	0.6589
Trichomonas vaginalis	tubulin gamma chain, putative	0.0531	1	1
Trypanosoma cruzi	epsilon tubulin, putative	0.0284	0.3935	0.3935
Echinococcus granulosus	tubulin alpha 3 chain	0.0392	0.6589	0.6589
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0392	0.6589	0.6589
Echinococcus multilocularis	beta tubulin	0.0531	1	1
Leishmania major	beta tubulin	0.0531	1	1
Echinococcus multilocularis	hypothetical protein	0.0392	0.6589	0.6589
Loa Loa (eye worm)	tubulin alpha-3 chain	0.0231	0.2654	0.2654
Trichomonas vaginalis	tubulin beta chain, putative	0.0392	0.6589	0.6589
Loa Loa (eye worm)	alpha-tubulin	0.0392	0.6589	0.6589
Trichomonas vaginalis	tubulin beta chain, putative	0.016	0.0915	0.0915
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0531	1	1
Brugia malayi	Tubulin alpha-2 chain	0.0392	0.6589	0.6589
Leishmania major	beta tubulin	0.0531	1	1
Leishmania major	alpha tubulin	0.0392	0.6589	0.6589
Plasmodium falciparum	alpha tubulin 1	0.0392	0.6589	0.6589
Trypanosoma cruzi	tubulin gamma chain	0.0284	0.3935	0.3935
Leishmania major	beta tubulin	0.0531	1	1
Trypanosoma brucei	alpha tubulin	0.0392	0.6589	0.6589
Loa Loa (eye worm)	tubulin alpha chain	0.0392	0.6589	0.6589
Entamoeba histolytica	tubulin family protein	0.0531	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0392	0.6589	0.6589
Trypanosoma brucei	beta tubulin	0.0531	1	1
Echinococcus granulosus	tubulin subunit TubB	0.0392	0.6589	0.6589
Trypanosoma brucei	alpha tubulin	0.0392	0.6589	0.6589
Brugia malayi	Tubulin beta chain	0.016	0.0915	0.0915
Trichomonas vaginalis	tubulin alpha chain, putative	0.016	0.0915	0.0915
Leishmania major	beta tubulin	0.0531	1	1
Trypanosoma cruzi	epsilon tubulin, putative	0.0284	0.3935	0.3935
Echinococcus granulosus	tubulin alpha chain	0.0392	0.6589	0.6589
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0231	0.2654	0.2654
Trypanosoma brucei	alpha tubulin	0.0392	0.6589	0.6589
Loa Loa (eye worm)	BEN-1 protein	0.0531	1	1
Trichomonas vaginalis	tubulin, putative	0.0531	1	1
Schistosoma mansoni	tubulin subunit beta	0.0531	1	1
Giardia lamblia	Alpha-tubulin	0.0392	0.6589	0.6589
Brugia malayi	Tubulin alpha chain	0.0392	0.6589	0.6589
Leishmania major	beta tubulin	0.0531	1	1
Brugia malayi	alpha-tubulin	0.0392	0.6589	0.6589
Echinococcus multilocularis	tubulin subunit beta	0.0531	1	1
Echinococcus granulosus	tubulin alpha chain	0.0392	0.6589	0.6589
Leishmania major	beta tubulin	0.0531	1	1
Brugia malayi	tubulin alpha-2 chain	0.0392	0.6589	0.6589
Brugia malayi	Tubulin gamma chain	0.0284	0.3935	0.3935
Mycobacterium tuberculosis	Cell division protein FtsZ	0.0123	0	0.5
Toxoplasma gondii	beta tubulin	0.0531	1	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.0284	0.3935	0.3935
Onchocerca volvulus		0.016	0.0915	0.5
Echinococcus granulosus	beta tubulin	0.0531	1	1
Loa Loa (eye worm)	hypothetical protein	0.0392	0.6589	0.6589
Schistosoma mansoni	tubulin subunit alpha	0.0392	0.6589	0.6589
Schistosoma mansoni	tubulin subunit epsilon	0.0284	0.3935	0.3935
Schistosoma mansoni	tubulin subunit beta	0.0531	1	1
Trypanosoma brucei	beta tubulin	0.0531	1	1
Leishmania major	alpha tubulin	0.0392	0.6589	0.6589
Echinococcus granulosus	tubulin alpha	0.0284	0.3935	0.3935
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0392	0.6589	0.6589
Schistosoma mansoni	alpha tubulin	0.0392	0.6589	0.6589
Trichomonas vaginalis	tubulin alpha chain, putative	0.0284	0.3935	0.3935
Echinococcus multilocularis	tubulin alpha 1C chain	0.0392	0.6589	0.6589
Brugia malayi	tubulin alpha chain - mouse	0.0392	0.6589	0.6589
Echinococcus multilocularis	tubulin alpha chain	0.0392	0.6589	0.6589
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0392	0.6589	0.6589
Trichomonas vaginalis	tubulin alpha chain, putative	0.016	0.0915	0.0915
Entamoeba histolytica	tubulin alpha chain, putative	0.0392	0.6589	0.4376
Echinococcus multilocularis	beta tubulin	0.0531	1	1
Schistosoma mansoni	tubulin subunit gamma	0.0284	0.3935	0.3935
Giardia lamblia	Gamma tubulin	0.0284	0.3935	0.3935
Trypanosoma cruzi	beta tubulin, putative	0.0531	1	1
Schistosoma mansoni	tubulin subunit alpha	0.0392	0.6589	0.6589
Leishmania major	alpha tubulin	0.0392	0.6589	0.6589
Loa Loa (eye worm)	tubulin alpha 2	0.0269	0.357	0.357
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsZ	0.0123	0	0.5
Loa Loa (eye worm)	BEN-1 protein	0.0531	1	1
Loa Loa (eye worm)	tubulin beta-1 chain	0.0531	1	1
Loa Loa (eye worm)	tubulin beta-2A chain	0.0531	1	1
Leishmania major	beta tubulin	0.0531	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0531	1	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0269	0.357	0.357
Leishmania major	alpha tubulin	0.0392	0.6589	0.6589
Leishmania major	gamma-tubulin	0.0284	0.3935	0.3935
Giardia lamblia	Beta tubulin	0.0531	1	1
Echinococcus multilocularis	tubulin alpha 3 chain	0.0392	0.6589	0.6589
Leishmania major	beta tubulin	0.0531	1	1
Leishmania major	alpha tubulin	0.0392	0.6589	0.6589

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 1 nM	In vitro binding affinity to the CRF receptor in rat cortical homogenates	ChEMBL.	12467631
Ki (binding)	= 1 nM	In vitro binding affinity to the CRF receptor in rat cortical homogenates	ChEMBL.	12467631

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

No external resources registered 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.

Detailed information for compound 28630