TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 468.346 | Formula: C22H22BrN5O2
H donors: 2 H acceptors: 3 LogP: 4.09 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Cc1nc(Nc2ccc(cc2)NC(=O)c2ccc(cc2)Br)nc(c1)N1CCOCC1
InChi: 1S/C22H22BrN5O2/c1-15-14-20(28-10-12-30-13-11-28)27-22(24-15)26-19-8-6-18(7-9-19)25-21(29)16-2-4-17(23)5-3-16/h2-9,14H,10-13H2,1H3,(H,25,29)(H,24,26,27)
InChiKey: GICCRGYFXLBKTL-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

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
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0537	0.3846	1
Echinococcus granulosus	tar DNA binding protein	0.0454	0.3201	0.9707
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0092	0.0396	0.2384
Schistosoma mansoni	hypothetical protein	0.0896	0.6627	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0466	0.3297	1
Echinococcus granulosus	mothers against decapentaplegic 5	0.0091	0.0389	0.1179
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0144	0.0805	0.244
Schistosoma mansoni	tar DNA-binding protein	0.0454	0.3201	0.483
Brugia malayi	TAR-binding protein	0.0454	0.3201	0.3201
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0144	0.0805	1
Onchocerca volvulus		0.0149	0.084	0.2184
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0092	0.0396	0.12
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.1311	0.984	0.984
Brugia malayi	hypothetical protein	0.0149	0.084	0.084
Brugia malayi	serine/threonine-protein kinase plk-2	0.0092	0.0396	0.0396
Trichomonas vaginalis	CAMK family protein kinase	0.0092	0.0396	1
Loa Loa (eye worm)	transcription factor SMAD2	0.1332	1	1
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0144	0.0805	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0466	0.3297	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0466	0.3297	0.4975
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0091	0.0389	0.1179
Toxoplasma gondii	isocitrate dehydrogenase	0.0144	0.0805	1
Brugia malayi	MH1 domain containing protein	0.0091	0.0389	0.0389
Echinococcus granulosus	smad	0.0091	0.0389	0.1179
Brugia malayi	Latrophilin receptor protein 2	0.0415	0.2899	0.2899
Schistosoma mansoni	smad1 5 8 and	0.0091	0.0389	0.0586
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0092	0.0396	0.1029
Brugia malayi	RNA binding protein	0.0454	0.3201	0.3201
Schistosoma mansoni	Smad4	0.0091	0.0389	0.0586
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0466	0.3297	1
Schistosoma mansoni	tar DNA-binding protein	0.0454	0.3201	0.483
Trichomonas vaginalis	CAMK family protein kinase	0.0092	0.0396	1
Schistosoma mansoni	tar DNA-binding protein	0.0454	0.3201	0.483
Brugia malayi	MH1 domain containing protein	0.0091	0.0389	0.0389
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0415	0.2899	0.8791
Loa Loa (eye worm)	hypothetical protein	0.0537	0.3846	0.3846
Brugia malayi	RNA recognition motif domain containing protein	0.0454	0.3201	0.3201
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0466	0.3297	0.3297
Echinococcus multilocularis	GPCR, family 2	0.0415	0.2899	0.8791
Loa Loa (eye worm)	hypothetical protein	0.1311	0.984	0.984
Echinococcus multilocularis	tar DNA binding protein	0.0454	0.3201	0.9707
Brugia malayi	MH1 domain containing protein	0.005	0.0075	0.0075
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0415	0.2899	0.2899
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0092	0.0396	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.0092	0.0396	0.0597
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0144	0.0805	1
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0144	0.0805	0.244
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0144	0.0805	0.244
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0466	0.3297	0.4975
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0466	0.3297	1
Loa Loa (eye worm)	MH1 domain-containing protein	0.0091	0.0389	0.0389
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0415	0.2899	0.2899
Schistosoma mansoni	kinase	0.0047	0.0047	0.007
Giardia lamblia	Kinase, PLK	0.0092	0.0396	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0454	0.3201	0.483
Brugia malayi	Calcitonin receptor-like protein seb-1	0.1311	0.984	0.984
Brugia malayi	latrophilin 2 splice variant baaae	0.0896	0.6627	0.6627
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0092	0.0396	0.0396
Toxoplasma gondii	isocitrate dehydrogenase	0.0144	0.0805	1
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0144	0.0805	0.1214
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0144	0.0805	0.244
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0144	0.0805	1
Schistosoma mansoni	smad1 5 8 and	0.0091	0.0389	0.0586
Echinococcus granulosus	Smad4	0.0091	0.0389	0.1179
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0144	0.0805	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0415	0.2899	0.8791
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0144	0.0805	1
Schistosoma mansoni	tar DNA-binding protein	0.0454	0.3201	0.483
Echinococcus granulosus	GPCR family 2	0.0415	0.2899	0.8791
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0091	0.0389	0.0586
Echinococcus multilocularis	smad	0.0091	0.0389	0.1179
Trichomonas vaginalis	CAMK family protein kinase	0.0092	0.0396	1
Brugia malayi	Isocitrate dehydrogenase	0.0144	0.0805	0.0805
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0144	0.0805	0.5
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0415	0.2899	0.8791
Trichomonas vaginalis	CAMK family protein kinase	0.0092	0.0396	1
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0092	0.0396	0.12
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0091	0.0389	0.1179
Trichomonas vaginalis	CAMK family protein kinase	0.0092	0.0396	1
Loa Loa (eye worm)	RNA binding protein	0.0454	0.3201	0.3201
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.1311	0.984	0.984
Schistosoma mansoni	hypothetical protein	0.0415	0.2899	0.4374
Brugia malayi	N-terminal motif family protein	0.0537	0.3846	0.3846
Brugia malayi	hypothetical protein	0.0075	0.0268	0.0268
Loa Loa (eye worm)	hypothetical protein	0.0149	0.084	0.084
Loa Loa (eye worm)	nuclear factor I	0.005	0.0075	0.0075
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0454	0.3201	0.3201
Loa Loa (eye worm)	hypothetical protein	0.0896	0.6627	0.6627
Brugia malayi	Smad1	0.0091	0.0389	0.0389
Brugia malayi	MH2 domain containing protein	0.0091	0.0389	0.0389
Trypanosoma cruzi	polo-like protein kinase, putative	0.0092	0.0396	0.2384
Brugia malayi	isocitrate dehydrogenase	0.0144	0.0805	0.0805
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0144	0.0805	0.244
Schistosoma mansoni	smad	0.0091	0.0389	0.0586
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0466	0.3297	0.4975
Trypanosoma cruzi	polo-like protein kinase, putative	0.0092	0.0396	0.2384
Loa Loa (eye worm)	hypothetical protein	0.0415	0.2899	0.2899
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0091	0.0389	0.1179
Loa Loa (eye worm)	TAR-binding protein	0.0454	0.3201	0.3201
Loa Loa (eye worm)	MH2 domain-containing protein	0.0091	0.0389	0.0389
Brugia malayi	hypothetical protein	0.0049	0.0062	0.0062
Trichomonas vaginalis	CAMK family protein kinase	0.0092	0.0396	1
Echinococcus multilocularis	isocitrate dehydrogenase	0.0144	0.0805	0.244
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0268	0.0268
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0415	0.2899	0.8791
Brugia malayi	MH2 domain containing protein	0.0091	0.0389	0.0389
Echinococcus multilocularis	Smad4	0.0091	0.0389	0.1179
Trypanosoma brucei	polo-like protein kinase	0.0092	0.0396	0.2384
Brugia malayi	MH1 domain containing protein	0.005	0.0075	0.0075
Schistosoma mansoni	hypothetical protein	0.0415	0.2899	0.4374
Loa Loa (eye worm)	Smad1	0.0091	0.0389	0.0389
Schistosoma mansoni	hypothetical protein	0.0415	0.2899	0.4374
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0144	0.0805	1
Schistosoma mansoni	hypothetical protein	0.0415	0.2899	0.4374
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0144	0.0805	0.0805
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0466	0.3297	0.3297
Schistosoma mansoni	smad1 5 8 and	0.0091	0.0389	0.0586
Trichomonas vaginalis	CAMK family protein kinase	0.0092	0.0396	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0075	0.0075
Loa Loa (eye worm)	MH2 domain-containing protein	0.1332	1	1

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 901826