TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 450.328 | Formula: C23H20BrN3O2
H donors: 2 H acceptors: 2 LogP: 4.51 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Brc1cccc(c1)n1c(=O)c2ccc(c3c2c(c1=O)ccc3)NC1CCNCC1
InChi: 1S/C23H20BrN3O2/c24-14-3-1-4-16(13-14)27-22(28)18-6-2-5-17-20(26-15-9-11-25-12-10-15)8-7-19(21(17)18)23(27)29/h1-8,13,15,25-26H,9-12H2
InChiKey: NHAPNCWGHMLSLO-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
Loa Loa (eye worm)	PHD-finger family protein	0.0029	0.074	0.0977
Schistosoma mansoni	hypothetical protein	0.0172	1	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0032	0.0887	0.0771
Echinococcus multilocularis	jumonji domain containing protein	0.0041	0.1485	0.1376
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0135	0.7572	0.7541
Plasmodium vivax	hypothetical protein, conserved	0.0029	0.074	0.5
Echinococcus multilocularis	geminin	0.0172	1	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1342	0.1773
Loa Loa (eye worm)	jmjC domain-containing protein	0.0061	0.2766	0.3653
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.2714	0.2621
Echinococcus granulosus	PHD finger protein rhinoceros	0.0029	0.074	0.0622
Brugia malayi	Bromodomain containing protein	0.0076	0.3777	0.4651
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0135	0.7572	0.7541
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.01	0.5319	0.7025
Giardia lamblia	PHD finger protein 15	0.0029	0.074	0.5
Schistosoma mansoni	hypothetical protein	0.0032	0.0887	0.0771
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0061	0.2769	0.2677
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.2714	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.1342	0.2714
Schistosoma mansoni	hypothetical protein	0.0032	0.0887	0.0771
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0135	0.7572	0.7541
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.006	0.2714	0.2621
Loa Loa (eye worm)	hypothetical protein	0.01	0.5319	0.7025
Brugia malayi	latrophilin 2 splice variant baaae	0.0068	0.3268	0.3933
Schistosoma mansoni	chromobox protein	0.0069	0.3307	0.3222
Trichomonas vaginalis	chromobox protein, putative	0.0069	0.3307	1
Echinococcus granulosus	fetal alzheimer antigen falz	0.0023	0.0321	0.0198
Brugia malayi	jmjC domain containing protein	0.0096	0.507	0.6473
Loa Loa (eye worm)	hypothetical protein	0.0041	0.152	0.2007
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0032	0.0887	0.0771
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0042	0.1533	1
Brugia malayi	Bromodomain containing protein	0.0032	0.0896	0.0589
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0023	0.0321	0.0198
Brugia malayi	Heterochromatin protein 1	0.0069	0.3307	0.3988
Schistosoma mansoni	jumonji domain containing protein	0.0076	0.3789	0.371
Schistosoma mansoni	hypothetical protein	0.0029	0.074	0.0622
Brugia malayi	Bromodomain containing protein	0.0039	0.1359	0.1243
Schistosoma mansoni	hypothetical protein	0.0021	0.0195	0.0071
Echinococcus granulosus	chromobox protein 1	0.0069	0.3307	0.3222
Brugia malayi	chromobox protein homolog 3	0.0039	0.1342	0.1219
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0036	0.1203	0.1091
Schistosoma mansoni	hypothetical protein	0.0172	1	1
Echinococcus granulosus	chromobox protein 1	0.0069	0.3307	0.3222
Onchocerca volvulus		0.003	0.0801	0.0773
Loa Loa (eye worm)	PHD-finger family protein	0.0021	0.0195	0.0258
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1646	0.2173
Loa Loa (eye worm)	hypothetical protein	0.0072	0.3495	0.4616
Schistosoma mansoni	hypothetical protein	0.0032	0.0887	0.0771
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.006	0.2714	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0135	0.7572	0.7541
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0032	0.0887	0.1172
Echinococcus multilocularis	GPCR, family 2	0.0032	0.0887	0.0771
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0061	0.2769	0.2677
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0036	0.1203	0.1091
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0887	0.1172
Schistosoma mansoni	chromobox protein	0.0069	0.3307	0.3222
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0032	0.0887	0.0771
Echinococcus multilocularis	chromobox protein 1	0.0069	0.3307	0.3222
Echinococcus multilocularis	peregrin	0.0032	0.0896	0.0779
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1364	0.1801
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0096	0.507	0.5007
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0135	0.7572	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0032	0.0887	0.0771
Brugia malayi	Latrophilin receptor protein 2	0.0032	0.0887	0.0578
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0135	0.7572	0.7541
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0135	0.7572	0.7541
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.006	0.2714	0.2621
Echinococcus multilocularis	lysine specific demethylase 5A	0.0036	0.114	0.1027
Echinococcus granulosus	lysine specific demethylase 5A	0.0037	0.1266	0.1155
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.2714	0.5
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0096	0.507	0.5007
Loa Loa (eye worm)	hypothetical protein	0.0068	0.3268	0.4316
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0029	0.074	0.0622
Schistosoma mansoni	bromodomain containing protein	0.0064	0.3005	0.2916
Loa Loa (eye worm)	hypothetical protein	0.0029	0.074	0.0977
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0135	0.7572	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0037	0.1266	0.1155
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0037	0.1266	0.1155
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.2714	0.5
Brugia malayi	jmjC domain containing protein	0.0037	0.1266	0.1111
Echinococcus granulosus	jumonji domain containing protein	0.0041	0.1485	0.1376
Plasmodium falciparum	phd finger protein, putative	0.0029	0.074	0.5
Echinococcus multilocularis	chromobox protein 1	0.0069	0.3307	0.3222
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.01	0.5319	0.6825
Echinococcus granulosus	GPCR family 2	0.0032	0.0887	0.0771
Trichomonas vaginalis	chromobox protein, putative	0.0042	0.1533	0.3419
Trichomonas vaginalis	chromobox protein, putative	0.0042	0.1533	0.3419
Toxoplasma gondii	aldehyde dehydrogenase	0.006	0.2714	1
Brugia malayi	PHD-finger family protein	0.0029	0.074	0.037
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0039	0.1342	0.76
Echinococcus granulosus	peregrin	0.0032	0.0896	0.0779
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.2714	0.2621
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.006	0.2714	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0135	0.7572	0.7541
Loa Loa (eye worm)	hypothetical protein	0.003	0.0801	0.1058
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0023	0.0321	0.0198
Loa Loa (eye worm)	heterochromatin protein 1	0.0069	0.3307	0.4367
Schistosoma mansoni	hypothetical protein	0.0032	0.0887	0.0771
Loa Loa (eye worm)	jmjC domain-containing protein	0.0037	0.1266	0.1672
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0029	0.074	0.0622
Trichomonas vaginalis	chromobox protein, putative	0.0069	0.3307	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.01	0.5319	0.6825
Loa Loa (eye worm)	hypothetical protein	0.005	0.2099	0.2772
Schistosoma mansoni	hypothetical protein	0.0068	0.3268	0.3182
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.1342	0.2714
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0032	0.0887	0.0578

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: CHEMBL564469

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1061792