TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 351.281 | Formula: C17H23BrN2O
H donors: 1 H acceptors: 1 LogP: 3.57 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccccc1Br)N[C@H]1CCCC[C@]21CCCN2C
InChi: 1S/C17H23BrN2O/c1-20-12-6-11-17(20)10-5-4-9-15(17)19-16(21)13-7-2-3-8-14(13)18/h2-3,7-8,15H,4-6,9-12H2,1H3,(H,19,21)/t15-,17+/m0/s1
InChiKey: RNMPAAHKRISTNC-DOTOQJQBSA-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
Schistosoma mansoni	nocturnin	0.0016	0.0063	0.0063
Plasmodium falciparum	acyl-CoA synthetase	0.0019	0.0106	0.0478
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0025	0.0199	0.1068
Schistosoma mansoni	ocrl type II inositol 5-phosphatase	0.0016	0.0063	0.0063
Brugia malayi	Intermediate filament tail domain containing protein	0.0055	0.0636	0.1601
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0078	0.0971	0.0971
Echinococcus multilocularis	GPCR, family 2	0.0064	0.0769	0.0769
Echinococcus multilocularis	synaptojanin 1	0.0016	0.0063	0.0063
Plasmodium vivax	acyl-CoA synthetase, putative	0.0019	0.0106	0.0478
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0078	0.0971	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.003	0.0274	0.0274
Schistosoma mansoni	tar DNA-binding protein	0.0262	0.3644	0.3644
Echinococcus granulosus	synaptojanin 1	0.0016	0.0063	0.0063
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0.0205	0.1565
Echinococcus granulosus	neutral sphingomyelinase	0.0016	0.0063	0.0063
Schistosoma mansoni	tar DNA-binding protein	0.0262	0.3644	0.3644
Loa Loa (eye worm)	cytochrome P450 family protein	0.005	0.0569	0.1412
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0064	0.0769	0.0769
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0206	0.04
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0078	0.0971	0.0971
Brugia malayi	hypothetical protein	0.0026	0.0205	0.0397
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0274	0.0274
Toxoplasma gondii	LsmAD domain-containing protein	0.0026	0.0205	0.1565
Echinococcus granulosus	lamin dm0	0.0055	0.0636	0.0636
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0078	0.0971	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0199	0.0379
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0091	0.0313
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0636	0.1601
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0078	0.0971	1
Loa Loa (eye worm)	TAR-binding protein	0.0262	0.3644	1
Trichomonas vaginalis	set domain proteins, putative	0.024	0.3328	1
Echinococcus granulosus	lamin	0.0055	0.0636	0.0636
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0106	0.0121
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0025	0.0199	0.1068
Brugia malayi	intermediate filament protein	0.0055	0.0636	0.1601
Brugia malayi	Latrophilin receptor protein 2	0.0064	0.0769	0.1971
Onchocerca volvulus		0.024	0.3328	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0091	0.0313
Echinococcus granulosus	traf and tnf receptor associated protein	0.0016	0.0063	0.0063
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0221	0.0441
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0055	0.0636	0.1601
Schistosoma mansoni	lamin	0.0055	0.0636	0.0636
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0206	0.04
Schistosoma mansoni	hypothetical protein	0.0698	1	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0064	0.0769	0.0769
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0274	0.0274
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0501	0.1223
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0025	0.0199	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0501	0.0501
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0203	0.279	0.7616
Echinococcus granulosus	CCR4 NOT transcription complex subunit 6	0.0016	0.0063	0.0063
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0203	0.279	0.7616
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0025	0.0199	0.1068
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0199	0.0379
Loa Loa (eye worm)	hypothetical protein	0.003	0.0274	0.0588
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.003	0.0274	0.0274
Echinococcus multilocularis	CCR4 NOT transcription complex subunit 6	0.0016	0.0063	0.0063
Leishmania major	pantothenate kinase subunit, putative	0.0017	0.0078	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0199	0.0379
Schistosoma mansoni	synaptojanin	0.0016	0.0063	0.0063
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0064	0.0769	0.0769
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0019	0.0106	0.5
Brugia malayi	exodeoxyribonuclease III family protein	0.0078	0.0971	0.2536
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.003	0.0274	0.232
Loa Loa (eye worm)	RNA binding protein	0.0262	0.3644	1
Loa Loa (eye worm)	hypothetical protein	0.0139	0.1855	0.5004
Loa Loa (eye worm)	transcription factor SMAD2	0.012	0.1576	0.4224
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0078	0.0971	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0501	0.0501
Echinococcus granulosus	tar DNA binding protein	0.0262	0.3644	0.3644
Brugia malayi	RNA binding protein	0.0262	0.3644	1
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0199	0.0379
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0769	0.1971
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0091	0.0313
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0501	0.0501
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0025	0.0199	0.1495
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0064	0.0769	0.0769
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0025	0.0199	0.5
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0257	0.0257
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0211	0.2903	0.7932
Plasmodium vivax	SET domain protein, putative	0.003	0.0274	0.232
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0205	0.0397
Echinococcus multilocularis	geminin	0.0698	1	1
Schistosoma mansoni	synaptojanin	0.0016	0.0063	0.0063
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0199	0.1495
Onchocerca volvulus		0.0025	0.0199	0.0416
Schistosoma mansoni	hypothetical protein	0.0698	1	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0205	0.1565
Schistosoma mansoni	hypothetical protein	0.0064	0.0769	0.0769
Brugia malayi	cytoplasmic intermediate filament protein	0.003	0.0263	0.056
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0199	0.0379
Plasmodium vivax	ataxin-2 like protein, putative	0.0026	0.0205	0.1565
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0078	0.0971	1
Entamoeba histolytica	acyl-coA synthetase, putative	0.0025	0.0199	0.1495
Echinococcus multilocularis	tar DNA binding protein	0.0262	0.3644	0.3644
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0199	0.1068
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0205	0.1565
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0078	0.0971	1
Schistosoma mansoni	ap endonuclease	0.0078	0.0971	0.0971
Brugia malayi	Cytochrome P450 family protein	0.005	0.0569	0.1412
Loa Loa (eye worm)	MH2 domain-containing protein	0.012	0.1576	0.4224
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0199	0.1068
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.0274	0.0274
Echinococcus multilocularis	lamin dm0	0.0055	0.0636	0.0636
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0106	0.0121
Echinococcus multilocularis	musashi	0.0055	0.0636	0.0636
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0501	0.0501
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0016	0.0063	0.0063
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0203	0.279	0.7616
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0274	0.0274
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0064	0.0769	0.1971
Echinococcus multilocularis	traf and tnf receptor associated protein	0.0016	0.0063	0.0063
Echinococcus granulosus	GPCR family 2	0.0064	0.0769	0.0769
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.003	0.0263	0.056
Trichomonas vaginalis	ap endonuclease, putative	0.0078	0.0971	0.2782
Brugia malayi	TAR-binding protein	0.0262	0.3644	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0019	0.0106	0.0478
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0199	0.1068
Brugia malayi	Pre-SET motif family protein	0.003	0.0274	0.0588
Echinococcus multilocularis	deoxyribonuclease 1 2	0.0016	0.0063	0.0063
Schistosoma mansoni	hypothetical protein	0.0064	0.0769	0.0769
Schistosoma mansoni	hypothetical protein	0.0064	0.0769	0.0769
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0199	0.0379
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0078	0.0971	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0078	0.0971	1
Echinococcus granulosus	intermediate filament protein	0.0055	0.0636	0.0636
Trypanosoma cruzi	pantothenate kinase subunit, putative	0.0017	0.0078	0.0164
Schistosoma mansoni	lamin	0.0055	0.0636	0.0636
Loa Loa (eye worm)	intermediate filament protein	0.0055	0.0636	0.1601
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0091	0.0313
Schistosoma mansoni	tar DNA-binding protein	0.0262	0.3644	0.3644
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0106	0.0121
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0106	0.0121
Schistosoma mansoni	carbon catabolite repressor protein	0.0016	0.0063	0.0063
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0262	0.3644	1
Onchocerca volvulus		0.0055	0.0636	0.1756
Echinococcus multilocularis	neutral sphingomyelinase	0.0016	0.0063	0.0063
Schistosoma mansoni	ap endonuclease	0.0078	0.0971	0.0971
Loa Loa (eye worm)	hypothetical protein	0.0203	0.279	0.7616
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0199	0.1495
Echinococcus multilocularis	lamin	0.0055	0.0636	0.0636
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0078	0.0971	1
Echinococcus granulosus	inositol polyphosphate 5 phosphatase OCRL 1	0.0016	0.0063	0.0063
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0205	0.1565
Brugia malayi	hypothetical protein	0.0016	0.0073	0.0029
Onchocerca volvulus		0.0055	0.0636	0.1756
Schistosoma mansoni	hypothetical protein	0.0139	0.1855	0.1855
Brugia malayi	MH2 domain containing protein	0.012	0.1576	0.4224
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0078	0.0971	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0199	0.1495
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0078	0.0971	0.2536
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0501	0.0501
Schistosoma mansoni	tar DNA-binding protein	0.0262	0.3644	0.3644
Brugia malayi	latrophilin 2 splice variant baaae	0.0139	0.1855	0.5004
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0064	0.0769	0.1971
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0274	0.0274
Brugia malayi	Pre-SET motif family protein	0.0211	0.2903	0.7932
Onchocerca volvulus		0.003	0.0274	0.0645
Schistosoma mansoni	hypothetical protein	0.0064	0.0769	0.0769
Schistosoma mansoni	hypothetical protein	0.0016	0.0063	0.0063
Schistosoma mansoni	intermediate filament proteins	0.0055	0.0636	0.0636
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0621	0.156
Mycobacterium ulcerans	hypothetical protein	0.0025	0.0199	0.1068
Schistosoma mansoni	neutral sphingomyelinase	0.0016	0.0063	0.0063
Echinococcus multilocularis	inositol polyphosphate 5 phosphatase OCRL 1	0.0016	0.0063	0.0063
Trichomonas vaginalis	ap endonuclease, putative	0.0078	0.0971	0.2782
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0025	0.0199	0.1495
Schistosoma mansoni	tar DNA-binding protein	0.0262	0.3644	0.3644
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0205	0.1565
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0027	0.0221	0.0221
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0078	0.0971	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0501	0.0501
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0025	0.0199	0.1495
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0027	0.0221	0.0221
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0025	0.0199	0.1068
Leishmania major	hypothetical protein, conserved	0.0026	0.0205	0.1565
Schistosoma mansoni	cript-related	0.0016	0.0063	0.0063
Toxoplasma gondii	exonuclease III APE	0.0078	0.0971	1
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0078	0.0971	0.5
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0016	0.0063	0.0063
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0501	0.0501
Brugia malayi	RNA recognition motif domain containing protein	0.0262	0.3644	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0025	0.0199	0.1495
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0501	0.1223
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0106	0.0121

Activities

No activities found for this compound.

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: CHEMBL1195285

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1149225