TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 325.307 | Formula: C17H27BrN-
H donors: 0 H acceptors: 0 LogP: 5.79 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCCN(C1CCCc2c(C1)cccc2)CCC.[Br-]
InChi: 1S/C17H27N.BrH/c1-3-12-18(13-4-2)17-11-7-10-15-8-5-6-9-16(15)14-17;/h5-6,8-9,17H,3-4,7,10-14H2,1-2H3;1H/p-1
InChiKey: WTSZYVCJQKEOHE-UHFFFAOYSA-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
Echinococcus granulosus	chromobox protein 1	0.0069	0.1151	0.154
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0044	0.0614	0.0819
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0142	0.2774	0.371
Echinococcus granulosus	GPCR family 2	0.0063	0.1033	0.1382
Mycobacterium tuberculosis	Conserved protein	0.0073	0.1254	0.1185
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0483	0.3448
Plasmodium vivax	hypothetical protein, conserved	0.0073	0.1254	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0142	0.2774	0.371
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0063	0.1033	0.1825
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0142	0.2774	0.5148
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0146	0.0585
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0021	0.0099	0.0032
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0483	0.0752
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0316	0.6626	1
Onchocerca volvulus		0.0073	0.1254	0.2944
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0267	0.0415
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0044	0.0614	0.0819
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0316	0.6626	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0142	0.2774	0.371
Mycobacterium tuberculosis	Probable lipase LipE	0.0073	0.1254	0.1185
Loa Loa (eye worm)	hypothetical protein	0.0073	0.1254	0.1952
Loa Loa (eye worm)	hypothetical protein	0.02	0.4064	0.633
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0022	0.0119	0.0159
Onchocerca volvulus		0.0073	0.1254	0.2944
Echinococcus multilocularis	GPCR, family 2	0.0063	0.1033	0.1382
Loa Loa (eye worm)	hypothetical protein	0.0177	0.3542	0.5516
Schistosoma mansoni	chromobox protein	0.0069	0.1151	0.154
Loa Loa (eye worm)	hypothetical protein	0.0073	0.1254	0.1952
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.02	0.4064	0.7611
Brugia malayi	beta-lactamase	0.0073	0.1254	0.2245
Trichomonas vaginalis	penicillin-binding protein, putative	0.0073	0.1254	1
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0021	0.0099	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.0513	0.0799
Trypanosoma cruzi	hypothetical protein, conserved	0.0073	0.1254	0.1796
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0021	0.0099	0.0132
Loa Loa (eye worm)	TAR-binding protein	0.0257	0.5316	0.8278
Loa Loa (eye worm)	hypothetical protein	0.0069	0.1163	0.1811
Brugia malayi	Bromodomain containing protein	0.0037	0.046	0.0731
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0146	0.0585
Mycobacterium ulcerans	hypothetical protein	0.0166	0.3315	1
Echinococcus granulosus	tar DNA binding protein	0.0257	0.5316	0.7108
Schistosoma mansoni	hypothetical protein	0.0063	0.1033	0.1382
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.002	0.0078	0.0104
Trichomonas vaginalis	esterase, putative	0.0073	0.1254	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0073	0.1254	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0035	0.0409	0.0547
Plasmodium falciparum	importin beta, putative	0.0029	0.0267	1
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0307	0.6421	1
Echinococcus granulosus	dna polymerase kappa	0.002	0.0078	0.0104
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.015	0.2941	0.4373
Entamoeba histolytica	hypothetical protein	0.0023	0.0146	1
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0044	0.0614	0.0819
Loa Loa (eye worm)	heterochromatin protein 1	0.0069	0.1151	0.1793
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0142	0.2774	0.432
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0073	0.1254	0.1676
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0146	0.0105
Echinococcus multilocularis	zinc finger protein	0.0019	0.0055	0.0073
Brugia malayi	latrophilin 2 splice variant baaae	0.0137	0.2661	0.4933
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.002	0.0078	0.0104
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0267	0.0289
Brugia malayi	Importin beta-1 subunit	0.0029	0.0267	0.0361
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0316	0.6626	1
Schistosoma mansoni	ran	0.0021	0.0099	0.0132
Schistosoma mansoni	DNA polymerase eta	0.002	0.0078	0.0104
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0267	0.0289
Leishmania major	hypothetical protein, conserved	0.0073	0.1254	0.1796
Mycobacterium tuberculosis	Probable esterase LipL	0.0073	0.1254	0.1185
Schistosoma mansoni	hypothetical protein	0.0355	0.7478	1
Schistosoma mansoni	bromodomain containing protein	0.0062	0.1001	0.1339
Schistosoma mansoni	tar DNA-binding protein	0.0257	0.5316	0.7108
Brugia malayi	N-terminal motif family protein	0.0177	0.3542	0.6613
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0021	0.0099	0.0154
Onchocerca volvulus		0.0073	0.1254	0.2944
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.002	0.0078	0.0104
Brugia malayi	beta-lactamase family protein	0.0073	0.1254	0.2245
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.015	0.2941	0.4373
Brugia malayi	chromobox protein homolog 3	0.0039	0.0483	0.0774
Schistosoma mansoni	zinc finger protein	0.0019	0.0055	0.0073
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0035	0.0409	0.0547
Brugia malayi	RNA, U transporter 1	0.0082	0.1439	0.26
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0063	0.1033	0.1382
Schistosoma mansoni	tar DNA-binding protein	0.0257	0.5316	0.7108
Schistosoma mansoni	importin beta-1	0.0029	0.0267	0.0357
Mycobacterium tuberculosis	Probable hydrolase	0.0073	0.1254	0.1185
Mycobacterium ulcerans	esterase/lipase LipP	0.0073	0.1254	0.3632
Echinococcus multilocularis	chromobox protein 1	0.0069	0.1151	0.154
Brugia malayi	Calcitonin receptor-like protein seb-1	0.02	0.4064	0.7611
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0063	0.1033	0.1382
Mycobacterium ulcerans	hypothetical protein	0.0073	0.1254	0.3632
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0044	0.0614	0.0819
Loa Loa (eye worm)	hypothetical protein	0.0137	0.2661	0.4145
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0063	0.1033	0.1609
Mycobacterium tuberculosis	Probable lipase LipD	0.0073	0.1254	0.1185
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0142	0.2774	0.371
Loa Loa (eye worm)	hypothetical protein	0.0073	0.1254	0.1952
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0073	0.1254	0.1185
Echinococcus granulosus	beta LACTamase domain containing family member	0.0073	0.1254	0.1676
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0021	0.0099	0.0032
Brugia malayi	RNA recognition motif domain containing protein	0.0257	0.5316	1
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.002	0.0078	0.0121
Trichomonas vaginalis	chromobox protein, putative	0.0069	0.1151	0.9131
Toxoplasma gondii	hypothetical protein	0.0051	0.0759	0.5716
Echinococcus multilocularis	dna polymerase kappa	0.002	0.0078	0.0104
Mycobacterium leprae	Probable lipase LipE	0.0073	0.1254	0.5
Loa Loa (eye worm)	hypothetical protein	0.0073	0.1254	0.1952
Brugia malayi	PHD-finger family protein	0.0024	0.017	0.0177
Mycobacterium ulcerans	lipase LipD	0.0073	0.1254	0.3632
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0142	0.2774	0.371
Loa Loa (eye worm)	RNA binding protein	0.0257	0.5316	0.8278
Schistosoma mansoni	hypothetical protein	0.0307	0.6421	0.8586
Echinococcus multilocularis	chromobox protein 1	0.0069	0.1151	0.154
Brugia malayi	TAR-binding protein	0.0257	0.5316	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0054	0.0829	0.1148
Echinococcus granulosus	dna polymerase eta	0.002	0.0078	0.0104
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0483	0.3448
Trichomonas vaginalis	D-aminoacylase, putative	0.0073	0.1254	1
Echinococcus multilocularis	geminin	0.0355	0.7478	1
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0021	0.0099	0.004
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0073	0.1254	0.1185
Loa Loa (eye worm)	hypothetical protein	0.0063	0.1033	0.1609
Trichomonas vaginalis	D-aminoacylase, putative	0.0073	0.1254	1
Schistosoma mansoni	hypothetical protein	0.0355	0.7478	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0063	0.1033	0.1382
Toxoplasma gondii	ABC1 family protein	0.0073	0.1254	1
Echinococcus granulosus	zinc finger protein	0.0019	0.0055	0.0073
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0058	0.0924	0.1236
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.0548	0.3999
Mycobacterium leprae	conserved hypothetical protein	0.0073	0.1254	0.5
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0462	0.0719
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0021	0.0099	0.0132
Echinococcus multilocularis	tar DNA binding protein	0.0257	0.5316	0.7108
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0073	0.1254	0.1185
Schistosoma mansoni	chromobox protein	0.0069	0.1151	0.154
Echinococcus multilocularis	dna polymerase eta	0.002	0.0078	0.0104
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0073	0.1254	0.1952
Echinococcus granulosus	geminin	0.0355	0.7478	1
Schistosoma mansoni	ran	0.0021	0.0099	0.0132
Mycobacterium tuberculosis	Conserved protein	0.0073	0.1254	0.1185
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0146	0.0105
Schistosoma mansoni	tar DNA-binding protein	0.0257	0.5316	0.7108
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.0548	0.3999
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0039	0.0483	0.0568
Trichomonas vaginalis	chromobox protein, putative	0.0069	0.1151	0.9131
Loa Loa (eye worm)	hypothetical protein	0.003	0.0299	0.0466
Echinococcus granulosus	fetal alzheimer antigen falz	0.0022	0.0119	0.0159
Loa Loa (eye worm)	beta-lactamase	0.0073	0.1254	0.1952
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.02	0.4064	0.633
Schistosoma mansoni	tar DNA-binding protein	0.0257	0.5316	0.7108
Loa Loa (eye worm)	hypothetical protein	0.002	0.0078	0.0121
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0142	0.2774	0.371
Plasmodium vivax	importin-beta 2, putative	0.0029	0.0267	0.1454
Echinococcus granulosus	snurportin 1	0.0307	0.6421	0.8586
Brugia malayi	Heterochromatin protein 1	0.0069	0.1151	0.205
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0234	0.1332
Schistosoma mansoni	terminal deoxycytidyl transferase	0.002	0.0078	0.0104
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0058	0.0924	0.1236
Schistosoma mansoni	hypothetical protein	0.0137	0.2661	0.3559
Loa Loa (eye worm)	hypothetical protein	0.0073	0.1254	0.1952
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0073	0.1254	0.1676
Schistosoma mansoni	hypothetical protein	0.0063	0.1033	0.1382
Trypanosoma brucei	hypothetical protein, conserved	0.0073	0.1254	0.1796
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0166	0.3315	0.3263
Schistosoma mansoni	tar DNA-binding protein	0.0257	0.5316	0.7108
Mycobacterium ulcerans	beta-lactamase	0.0073	0.1254	0.3632
Schistosoma mansoni	hypothetical protein	0.002	0.0078	0.0104
Echinococcus multilocularis	snurportin 1	0.0307	0.6421	0.8586
Loa Loa (eye worm)	PHD-finger family protein	0.002	0.0078	0.0121
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0554	0.0864
Toxoplasma gondii	HEAT repeat-containing protein	0.0029	0.0267	0.1454
Brugia malayi	RNA binding protein	0.0257	0.5316	1
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0234	0.1332
Trichomonas vaginalis	ran, putative	0.0021	0.0099	0.018
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0073	0.1254	0.2245
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0073	0.1254	0.3632
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0063	0.1033	0.1382
Mycobacterium tuberculosis	Conserved protein	0.0073	0.1254	0.1185
Echinococcus granulosus	chromobox protein 1	0.0069	0.1151	0.154
Brugia malayi	Bromodomain containing protein	0.0073	0.1255	0.2249
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0146	0.0585
Brugia malayi	beta-lactamase family protein	0.0073	0.1254	0.2245
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0041	0.0548	0.0768
Trichomonas vaginalis	D-aminoacylase, putative	0.0073	0.1254	1
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.015	0.2941	0.4373
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0021	0.0099	0.0032
Echinococcus multilocularis	importin subunit beta 1	0.0029	0.0267	0.0357
Loa Loa (eye worm)	bromodomain containing protein	0.0017	0.0013	0.0021
Leishmania major	GTP-binding protein, putative	0.0021	0.0099	0.0032
Echinococcus granulosus	importin subunit beta 1	0.0029	0.0267	0.0357
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0177	0.3542	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0073	0.1254	0.1796
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0022	0.0119	0.0159
Schistosoma mansoni	hypothetical protein	0.0063	0.1033	0.1382
Entamoeba histolytica	Ran family GTPase	0.0021	0.0099	0.3073
Leishmania major	mitochondrial DNA polymerase beta	0.0316	0.6626	1
Schistosoma mansoni	hypothetical protein	0.0063	0.1033	0.1382
Brugia malayi	Latrophilin receptor protein 2	0.0063	0.1033	0.1825
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0142	0.2774	0.371
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0073	0.1254	0.1676
Loa Loa (eye worm)	hypothetical protein	0.0073	0.1254	0.1952
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0257	0.5316	0.8278

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	0 turns hr-1	Evaluated for induce circlingbehavior in the rat expressed as rotational behavior (turns/h); IA = inactive	ChEMBL.	7190613

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: 372617

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 280326