TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 403.7 | Formula: C19H16BrClN2O
H donors: 2 H acceptors: 0 LogP: 4.73 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H](N2)c1c[nH]c2c1cc(Br)cc2
InChi: 1S/C19H16BrClN2O/c20-10-1-3-16-13(7-10)15(9-22-16)18-12-5-6-24-19(12)14-8-11(21)2-4-17(14)23-18/h1-4,7-9,12,18-19,22-23H,5-6H2/t12-,18+,19-/m0/s1
InChiKey: JQPJVWFRZFPTHV-RQUSPXKASA-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

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
Brugia malayi	tubulin alpha chain - mouse	0.0326	0.3868	0.45
Trichomonas vaginalis	tubulin alpha chain, putative	0.0121	0.0464	0.113
Leishmania major	alpha tubulin	0.0326	0.3868	0.942
Echinococcus multilocularis	tubulin subunit beta	0.0341	0.4106	0.4106
Echinococcus granulosus	Tubulin beta 2C chain	0.0341	0.4106	0.4106
Trichomonas vaginalis	tubulin beta chain, putative	0.0326	0.3868	0.942
Leishmania major	alpha tubulin	0.0326	0.3868	0.942
Leishmania major	beta tubulin	0.0341	0.4106	1
Trypanosoma cruzi	alpha tubulin, putative	0.0326	0.3868	0.942
Loa Loa (eye worm)	hypothetical protein	0.0326	0.3868	0.3868
Leishmania major	beta tubulin	0.0341	0.4106	1
Leishmania major	alpha tubulin	0.0326	0.3868	0.942
Echinococcus multilocularis	beta tubulin	0.0341	0.4106	0.4106
Echinococcus granulosus	tubulin alpha 3 chain	0.0326	0.3868	0.3868
Toxoplasma gondii	beta tubulin	0.0341	0.4106	0.4106
Schistosoma mansoni	alpha tubulin	0.0326	0.3868	0.3868
Leishmania major	beta tubulin	0.0341	0.4106	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0341	0.4106	0.4106
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0341	0.4106	0.4106
Schistosoma mansoni	tubulin subunit beta	0.0341	0.4106	0.4106
Plasmodium vivax	tubulin alpha chain, putative	0.0326	0.3868	0.942
Giardia lamblia	CAMP-specific 3,5-cyclic phosphodiesterase 4B	0.0697	1	1
Plasmodium falciparum	alpha tubulin 2	0.0326	0.3868	0.942
Echinococcus granulosus	tubulin alpha chain	0.0326	0.3868	0.3868
Brugia malayi	beta-tubulin, identical	0.0341	0.4106	0.4777
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0697	1	1
Brugia malayi	Tubulin beta chain	0.0121	0.0464	0.054
Echinococcus granulosus	Tubulin alpha 1 chain	0.0326	0.3868	0.3868
Loa Loa (eye worm)	tubulin alpha 2	0.0234	0.2337	0.2337
Plasmodium vivax	tubulin epsilon chain, putative	0.0213	0.1995	0.4859
Leishmania major	beta tubulin	0.0341	0.4106	1
Echinococcus granulosus	tubulin alpha chain	0.0326	0.3868	0.3868
Leishmania major	beta tubulin	0.0341	0.4106	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0341	0.4106	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0326	0.3868	0.3868
Trypanosoma brucei	epsilon tubulin	0.0213	0.1995	0.4859
Trichomonas vaginalis	tubulin gamma chain, putative	0.0341	0.4106	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0326	0.3868	0.942
Brugia malayi	tubulin alpha-2 chain	0.0326	0.3868	0.45
Leishmania major	alpha tubulin	0.0326	0.3868	0.942
Loa Loa (eye worm)	hypothetical protein	0.0206	0.1873	0.1873
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0697	1	1
Trypanosoma cruzi	epsilon tubulin, putative	0.0213	0.1995	0.4859
Trypanosoma brucei	beta tubulin	0.0341	0.4106	1
Loa Loa (eye worm)	hypothetical protein	0.0697	1	1
Echinococcus multilocularis	tubulin alpha chain	0.0326	0.3868	0.3868
Echinococcus multilocularis	Tubulin beta 2C chain	0.0341	0.4106	0.4106
Mycobacterium ulcerans	cell division protein FtsZ	0.0092	0	0.5
Loa Loa (eye worm)	cyclic AMP specific phosphodiesterase PDE4D5A	0.0612	0.8596	0.8596
Brugia malayi	Tubulin beta-1 chain	0.0341	0.4106	0.4777
Plasmodium vivax	tubulin alpha chain, putative	0.0326	0.3868	0.942
Trichomonas vaginalis	tubulin beta chain, putative	0.0326	0.3868	0.942
Toxoplasma gondii	alpha-tubulin I, putative	0.0326	0.3868	0.3868
Loa Loa (eye worm)	tubulin gamma chain	0.0213	0.1995	0.1995
Brugia malayi	Tubulin alpha-2 chain	0.0326	0.3868	0.45
Trichomonas vaginalis	tubulin beta chain, putative	0.0326	0.3868	0.942
Echinococcus granulosus	tubulin beta 4A class IVa	0.0341	0.4106	0.4106
Loa Loa (eye worm)	tubulin beta-1 chain	0.0341	0.4106	0.4106
Loa Loa (eye worm)	BEN-1 protein	0.0341	0.4106	0.4106
Echinococcus granulosus	tubulin alpha 1C chain	0.0326	0.3868	0.3868
Plasmodium falciparum	tubulin epsilon chain, putative	0.0213	0.1995	0.4859
Echinococcus granulosus	peroxisome assembly protein 26	0.0326	0.3868	0.3868
Trichomonas vaginalis	tubulin gamma chain, putative	0.0213	0.1995	0.4859
Echinococcus granulosus	Tubulin beta 2C chain	0.0341	0.4106	0.4106
Toxoplasma gondii	beta-1 tubulin, putative	0.0341	0.4106	0.4106
Plasmodium falciparum	alpha tubulin 1	0.0326	0.3868	0.942
Echinococcus multilocularis	beta tubulin	0.0341	0.4106	0.4106
Trichomonas vaginalis	tubulin alpha chain, putative	0.0121	0.0464	0.113
Loa Loa (eye worm)	hypothetical protein	0.0234	0.2337	0.2337
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0612	0.8596	0.8596
Echinococcus multilocularis	tubulin subunit TubB	0.0326	0.3868	0.3868
Echinococcus granulosus	tubulin beta 1 chain	0.0341	0.4106	0.4106
Loa Loa (eye worm)	alpha-tubulin	0.0326	0.3868	0.3868
Entamoeba histolytica	tubulin alpha-1 chain	0.0326	0.3868	0.8872
Loa Loa (eye worm)	tubulin beta-2A chain	0.0341	0.4106	0.4106
Loa Loa (eye worm)	tubulin alpha-3 chain	0.0206	0.1873	0.1873
Trichomonas vaginalis	tubulin alpha chain, putative	0.0341	0.4106	1
Leishmania major	alpha tubulin	0.0326	0.3868	0.942
Brugia malayi	alpha-tubulin	0.0326	0.3868	0.45
Echinococcus multilocularis	tubulin alpha chain	0.0326	0.3868	0.3868
Trypanosoma brucei	beta tubulin	0.0341	0.4106	1
Giardia lamblia	Beta tubulin	0.0341	0.4106	0.4106
Trichomonas vaginalis	tubulin alpha chain, putative	0.0121	0.0464	0.113
Echinococcus multilocularis	peroxisome assembly protein 26	0.0326	0.3868	0.3868
Echinococcus granulosus	Tubulin alpha 1 chain	0.0326	0.3868	0.3868
Toxoplasma gondii	beta-tubulin, putative	0.0341	0.4106	0.4106
Echinococcus granulosus	tubulin subunit TubB	0.0326	0.3868	0.3868
Echinococcus multilocularis	c Jun NH2 terminal kinase	0.0501	0.6759	0.6759
Echinococcus granulosus	tubulin alpha chain	0.0326	0.3868	0.3868
Echinococcus granulosus	beta tubulin	0.0341	0.4106	0.4106
Echinococcus multilocularis	tubulin alpha chain	0.0326	0.3868	0.3868
Schistosoma mansoni	tubulin subunit gamma	0.0213	0.1995	0.1995
Giardia lamblia	Beta tubulin	0.0341	0.4106	0.4106
Schistosoma mansoni	tubulin subunit alpha	0.0326	0.3868	0.3868
Brugia malayi	Stress-activated protein kinase jnk-1	0.0501	0.6759	0.7863
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0326	0.3868	0.942
Trypanosoma cruzi	beta tubulin, putative	0.0341	0.4106	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0234	0.2337	0.5691
Trypanosoma brucei	tubulin gamma chain	0.0213	0.1995	0.4859
Trichomonas vaginalis	tubulin alpha chain, putative	0.0213	0.1995	0.4859
Leishmania major	alpha tubulin	0.0326	0.3868	0.942
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0326	0.3868	0.942
Plasmodium vivax	tubulin beta chain, putative	0.0341	0.4106	1
Trypanosoma brucei	alpha tubulin	0.0326	0.3868	0.942
Leishmania major	beta tubulin	0.0341	0.4106	1
Giardia lamblia	Alpha-tubulin	0.0326	0.3868	0.3868
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	0.0612	0.8596	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0341	0.4106	0.4106
Toxoplasma gondii	alpha tubulin TUBA1	0.0326	0.3868	0.3868
Trypanosoma cruzi	tubulin gamma chain	0.0213	0.1995	0.4859
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0234	0.2337	0.2337
Brugia malayi	Tubulin alpha chain	0.0326	0.3868	0.45
Echinococcus multilocularis	hypothetical protein	0.0326	0.3868	0.3868
Leishmania major	alpha tubulin	0.0326	0.3868	0.942
Onchocerca volvulus		0.0121	0.0464	0.5
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0697	1	1
Leishmania major	epsilon tubulin, putative	0.0213	0.1995	0.4859
Giardia lamblia	Gamma tubulin	0.0213	0.1995	0.1995
Trichomonas vaginalis	tubulin, putative	0.0121	0.0464	0.113
Leishmania major	beta tubulin	0.0341	0.4106	1
Echinococcus multilocularis	tubulin alpha 3 chain	0.0326	0.3868	0.3868
Trypanosoma brucei	beta tubulin	0.0213	0.1995	0.4859
Loa Loa (eye worm)	tubulin alpha chain	0.0326	0.3868	0.3868
Schistosoma mansoni	tubulin subunit beta	0.0341	0.4106	0.4106
Loa Loa (eye worm)	tubulin alpha chain	0.0326	0.3868	0.3868
Schistosoma mansoni	alpha tubulin	0.0326	0.3868	0.3868
Echinococcus granulosus	tubulin alpha chain	0.0326	0.3868	0.3868
Trypanosoma brucei	beta tubulin	0.0341	0.4106	1
Echinococcus granulosus	alpha tubulin	0.0326	0.3868	0.3868
Echinococcus granulosus	tubulin epsilon chain	0.0213	0.1995	0.1995
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0326	0.3868	0.3868
Echinococcus multilocularis	tubulin epsilon chain	0.0213	0.1995	0.1995
Leishmania major	beta tubulin	0.0341	0.4106	1
Plasmodium falciparum	tubulin beta chain	0.0341	0.4106	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0341	0.4106	0.4106
Mycobacterium tuberculosis	Cell division protein FtsZ	0.0092	0	0.5
Echinococcus multilocularis	Tubulin beta 2C chain	0.0341	0.4106	0.4106
Echinococcus multilocularis	tubulin alpha 3 chain	0.0326	0.3868	0.3868
Echinococcus granulosus	c-Jun N-terminal kinases	0.0501	0.6759	0.6759
Trypanosoma brucei	alpha tubulin	0.0326	0.3868	0.942
Trichomonas vaginalis	tubulin beta chain, putative	0.0121	0.0464	0.113
Trichomonas vaginalis	tubulin beta chain, putative	0.0326	0.3868	0.942
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0341	0.4106	1
Trypanosoma brucei	alpha tubulin, putative	0.0121	0.0464	0.113
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0206	0.1873	0.4561
Entamoeba histolytica	tubulin alpha chain, putative	0.0326	0.3868	0.8872
Giardia lamblia	Alpha-tubulin	0.0326	0.3868	0.3868
Echinococcus multilocularis	tubulin alpha 1C chain	0.0326	0.3868	0.3868
Schistosoma mansoni	tubulin subunit beta	0.0341	0.4106	0.4106
Echinococcus granulosus	tubulin alpha 3 chain	0.0326	0.3868	0.3868
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0326	0.3868	0.3868
Loa Loa (eye worm)	CMGC/MAPK/JNK protein kinase	0.0501	0.6759	0.6759
Echinococcus multilocularis	tubulin gamma 1 chain	0.0213	0.1995	0.1995
Loa Loa (eye worm)	tubulin alpha 2	0.0113	0.0342	0.0342
Leishmania major	beta tubulin	0.0341	0.4106	1
Mycobacterium leprae	cell division protein FtsZ	0.0092	0	0.5
Trypanosoma brucei	alpha tubulin	0.0326	0.3868	0.942
Trichomonas vaginalis	tubulin beta chain, putative	0.0341	0.4106	1
Treponema pallidum	cell division protein FtsZ	0.0092	0	0.5
Loa Loa (eye worm)	alpha-tubulin	0.0326	0.3868	0.3868
Brugia malayi	Tubulin gamma chain	0.0213	0.1995	0.2321
Schistosoma mansoni	tubulin subunit epsilon	0.0213	0.1995	0.1995
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0326	0.3868	0.3868
Leishmania major	alpha tubulin	0.0326	0.3868	0.942
Leishmania major	beta tubulin	0.0341	0.4106	1
Echinococcus multilocularis	tubulin beta 1 chain	0.0341	0.4106	0.4106
Loa Loa (eye worm)	tubulin beta chain	0.0341	0.4106	0.4106
Leishmania major	gamma-tubulin	0.0213	0.1995	0.4859
Trichomonas vaginalis	tubulin, putative	0.0121	0.0464	0.113
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0213	0.1995	0.1995
Trichomonas vaginalis	tubulin, putative	0.0341	0.4106	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0121	0.0464	0.113
Echinococcus multilocularis	tubulin alpha	0.0213	0.1995	0.1995
Echinococcus granulosus	Tubulin beta 2C chain	0.0341	0.4106	0.4106
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0697	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0501	0.6759	0.6759
Leishmania major	beta tubulin	0.0341	0.4106	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0341	0.4106	0.4106
Schistosoma mansoni	tubulin subunit beta	0.0341	0.4106	0.4106
Leishmania major	alpha tubulin	0.0326	0.3868	0.942
Leishmania major	beta tubulin	0.0341	0.4106	1
Leishmania major	beta tubulin	0.0341	0.4106	1
Leishmania major	beta tubulin	0.0341	0.4106	1
Echinococcus granulosus	tubulin gamma 1 chain	0.0213	0.1995	0.1995
Trichomonas vaginalis	tubulin beta chain, putative	0.0326	0.3868	0.942
Loa Loa (eye worm)	BEN-1 protein	0.0341	0.4106	0.4106
Trypanosoma brucei	alpha tubulin	0.0326	0.3868	0.942
Trypanosoma brucei	epsilon tubulin	0.0213	0.1995	0.4859
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0612	0.8596	0.8596
Plasmodium falciparum	tubulin gamma chain	0.0213	0.1995	0.4859
Trypanosoma brucei	beta tubulin	0.0341	0.4106	1
Loa Loa (eye worm)	beta-tubulin	0.0341	0.4106	0.4106
Echinococcus multilocularis	tubulin alpha chain	0.0326	0.3868	0.3868
Echinococcus granulosus	tubulin subunit beta	0.0341	0.4106	0.4106
Echinococcus granulosus	tubulin alpha chain	0.0326	0.3868	0.3868
Loa Loa (eye worm)	tubulin beta-4 chain	0.0341	0.4106	0.4106
Leishmania major	beta tubulin	0.0341	0.4106	1
Echinococcus granulosus	tubulin alpha	0.0213	0.1995	0.1995
Loa Loa (eye worm)	tubulin alpha 2	0.0234	0.2337	0.2337
Schistosoma mansoni	tubulin subunit beta	0.0341	0.4106	0.4106
Trichomonas vaginalis	tubulin gamma chain, putative	0.0213	0.1995	0.4859
Leishmania major	beta tubulin	0.0341	0.4106	1
Giardia lamblia	Beta tubulin	0.0341	0.4106	0.4106
Trichomonas vaginalis	tubulin beta chain, putative	0.0326	0.3868	0.942
Schistosoma mansoni	alpha tubulin	0.0326	0.3868	0.3868
Brugia malayi	Tubulin alpha-2 chain	0.0326	0.3868	0.45
Schistosoma mansoni	tubulin subunit alpha	0.0326	0.3868	0.3868
Echinococcus multilocularis	tubulin alpha 1C chain	0.0326	0.3868	0.3868
Plasmodium vivax	tubulin gamma chain, putative	0.0213	0.1995	0.4859
Leishmania major	alpha tubulin	0.0326	0.3868	0.942
Trypanosoma brucei	epsilon tubulin	0.0213	0.1995	0.4859
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0697	1	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0326	0.3868	0.3868
Echinococcus granulosus	Tubulin beta 2C chain	0.0341	0.4106	0.4106
Leishmania major	alpha tubulin	0.0326	0.3868	0.942
Leishmania major	beta tubulin	0.0341	0.4106	1
Trypanosoma cruzi	epsilon tubulin, putative	0.0213	0.1995	0.4859
Entamoeba histolytica	tubulin family protein	0.0341	0.4106	1
Schistosoma mansoni	tubulin subunit beta	0.0341	0.4106	0.4106
Schistosoma mansoni	tubulin subunit alpha	0.0326	0.3868	0.3868
Leishmania major	alpha tubulin	0.0326	0.3868	0.942
Echinococcus granulosus	tubulin alpha 1C chain	0.0326	0.3868	0.3868
Leishmania major	beta tubulin	0.0341	0.4106	1
Entamoeba histolytica	tubulin family protein	0.0341	0.4106	1
Echinococcus multilocularis	tubulin alpha chain	0.0326	0.3868	0.3868
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsZ	0.0092	0	0.5
Echinococcus granulosus	beta tubulin	0.0341	0.4106	0.4106

Activities

Activity type	Activity value	Assay description	Source	Reference
MIC (functional)	= 3.133 ug ml-1	Minimum inhibitory concentration against methicillin-resistant Staphylococcus aureus	ChEMBL.	11755337

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 32698