TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 530.798 | Formula: C24H21BrClN3O4
H donors: 2 H acceptors: 4 LogP: 5.79 Rotable bonds: 8
Rule of 5 violations (Lipinski): 2
SMILES: CCCCc1nc(c(n1Cc1ccc2c(c1)c(Br)c(o2)c1ccccc1C(=O)N)C(=O)O)Cl
InChi: 1S/C24H21BrClN3O4/c1-2-3-8-18-28-22(26)20(24(31)32)29(18)12-13-9-10-17-16(11-13)19(25)21(33-17)14-6-4-5-7-15(14)23(27)30/h4-7,9-11H,2-3,8,12H2,1H3,(H2,27,30)(H,31,32)
InChiKey: ANZBBDGMWLXNHM-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
Brugia malayi	Cathepsin L-like precursor	0.0005	0.0059	0.0085
Plasmodium vivax	vivapain-2	0.0007	0.0145	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0026	0.0882	1
Loa Loa (eye worm)	GGL domain-containing protein	0.0181	0.6911	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0005	0.0059	0.0085
Echinococcus multilocularis	MAM	0.0015	0.0481	0.577
Leishmania major	cathepsin L-like protease	0.0026	0.0882	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0007	0.0145	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0024	0.0834	0.1318
Brugia malayi	Papain family cysteine protease containing protein	0.0003	0.0018	0.0027
Leishmania major	cathepsin L-like protease	0.0026	0.0882	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0007	0.0145	0.1744
Schistosoma mansoni	cathepsin F (C01 family)	0.0007	0.0145	0.023
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0481	0.0696
Onchocerca volvulus		0.0015	0.0481	0.0616
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0003	0.0018	0.0029
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0007	0.0145	1
Echinococcus multilocularis	cysteine protease	0.0007	0.0145	0.1744
Brugia malayi	Cathepsin L-like precursor	0.0005	0.0059	0.0085
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.0882	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0007	0.0145	1
Onchocerca volvulus		0.0007	0.0145	0.0126
Trypanosoma cruzi	cruzipain precursor, putative	0.0026	0.0882	1
Brugia malayi	Cathepsin L-like precursor	0.0007	0.0145	0.021
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0059	0.0085
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0007	0.0145	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0007	0.0145	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0007	0.0145	0.1744
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.0882	1
Loa Loa (eye worm)	hypothetical protein	0.0113	0.4275	0.6186
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0007	0.0145	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0007	0.0145	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.0882	1
Leishmania major	cathepsin L-like protease	0.0026	0.0882	1
Onchocerca volvulus	Cathepsin L homolog	0.0007	0.0145	0.0126
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.0882	1
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0226	0.0327
Echinococcus granulosus	cathepsin L cysteine protease	0.0003	0.0018	0.022
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0007	0.0145	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0007	0.0145	1
Echinococcus multilocularis	guanine nucleotide binding protein subunit beta	0.0009	0.0226	0.2713
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.0882	1
Echinococcus multilocularis	cysteine protease	0.0007	0.0145	0.1744
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0007	0.0145	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0007	0.0145	0.021
Echinococcus multilocularis	cathepsin L	0.0003	0.0018	0.022
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0007	0.0145	1
Loa Loa (eye worm)	CAMK/CAMKL/CHK1 protein kinase	0.0166	0.6325	0.9151
Brugia malayi	Cathepsin L-like precursor	0.0007	0.0145	0.021
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0481	0.0696
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.0882	1
Schistosoma mansoni	serine/threonine protein kinase	0.0166	0.6325	1
Onchocerca volvulus	Cathepsin L homolog	0.0007	0.0145	0.0126
Schistosoma mansoni	cathepsin F (C01 family)	0.0007	0.0145	0.023
Entamoeba histolytica	hypothetical protein	0.0009	0.0226	1
Onchocerca volvulus		0.0015	0.0481	0.0616
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0007	0.0145	1
Loa Loa (eye worm)	cysteine protease	0.0007	0.0145	0.021
Echinococcus granulosus	MAM	0.0015	0.0481	0.577
Brugia malayi	Guanine nucleotide-binding protein beta subunit 1, putative	0.0009	0.0226	0.0327
Onchocerca volvulus		0.0007	0.0145	0.0126
Brugia malayi	Protein kinase domain containing protein	0.0129	0.4897	0.7086
Onchocerca volvulus		0.0007	0.0145	0.0126
Loa Loa (eye worm)	GTP-binding regulatory protein beta chain	0.0009	0.0226	0.0327
Echinococcus granulosus	cathepsin l1	0.0007	0.0145	0.1744
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.0882	1
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0059	0.0085
Brugia malayi	Cathepsin L-like precursor	0.0007	0.0145	0.021
Trypanosoma cruzi	cysteine peptidase, putative	0.0007	0.0145	0.1472
Loa Loa (eye worm)	ctsf protein	0.0007	0.0145	0.021
Onchocerca volvulus		0.0007	0.0145	0.0126
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0024	0.0834	1
Brugia malayi	hypothetical protein	0.0015	0.0481	0.0696
Trypanosoma cruzi	cysteine peptidase, putative	0.0026	0.0882	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0007	0.0145	1
Brugia malayi	Cathepsin L-like precursor	0.0007	0.0145	0.021
Toxoplasma gondii	aldehyde dehydrogenase	0.0024	0.0834	1
Brugia malayi	cathepsin L-like precursor	0.0005	0.0059	0.0085
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0007	0.0145	1
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0059	0.0085
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0007	0.0145	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0007	0.0145	1
Mycobacterium ulcerans	ATP phosphoribosyltransferase	0.026	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0026	0.0882	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.0882	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0007	0.0145	1
Onchocerca volvulus	Cathepsin F homolog	0.0007	0.0145	0.0126
Entamoeba histolytica	cysteine protease, putative	0.0007	0.0145	0.6113
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0007	0.0145	0.1744
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0007	0.0145	0.1744
Schistosoma mansoni	guanine nucleotide-binding protein beta 1 4 (G protein beta1 4)	0.0009	0.0226	0.0358
Echinococcus multilocularis	guanine nucleotide binding protein subunit	0.0009	0.0226	0.2713
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0007	0.0145	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0007	0.0145	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0007	0.0145	0.1744
Entamoeba histolytica	cysteine proteinase, putative	0.0005	0.0059	0.1945
Schistosoma mansoni	guanine nucleotide-binding protein beta 1 4 (G protein beta1 4)	0.0009	0.0226	0.0358
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.0882	1
Brugia malayi	GGL domain containing protein	0.0181	0.6911	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0007	0.0145	1
Loa Loa (eye worm)	TK/ALK protein kinase	0.0129	0.4896	0.7083
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0007	0.0145	1
Echinococcus granulosus	guanine nucleotide binding protein subunit	0.0009	0.0226	0.2713
Onchocerca volvulus		0.0007	0.0145	0.0126
Schistosoma mansoni	aldehyde dehydrogenase	0.0024	0.0834	0.1318
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0481	0.0696
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.0882	1
Onchocerca volvulus		0.0181	0.6911	1
Entamoeba histolytica	cysteine proteinase, putative	0.0007	0.0145	0.6113
Echinococcus multilocularis	F box protein 36	0.0009	0.0226	0.2713
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.0882	1
Echinococcus granulosus	guanine nucleotide binding protein subunit beta	0.0009	0.0226	0.2713
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0145	0.021
Entamoeba histolytica	cysteine proteinase, putative	0.0007	0.0145	0.6113
Schistosoma mansoni	hypothetical protein	0.0015	0.0481	0.0761
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0007	0.0145	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0007	0.0145	0.1744
Schistosoma mansoni	hypothetical protein	0.0015	0.0481	0.0761
Onchocerca volvulus		0.0007	0.0145	0.0126
Brugia malayi	Papain family cysteine protease containing protein	0.0007	0.0145	0.021
Loa Loa (eye worm)	fibroinase	0.0007	0.0145	0.021
Echinococcus granulosus	cysteine protease	0.0003	0.0018	0.022
Trypanosoma cruzi	major cysteine proteinase, putative	0.002	0.0668	0.7525
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0007	0.0145	0.021
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0005	0.0059	0.3182
Echinococcus granulosus	cathepsin l1	0.0005	0.0059	0.0705
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0005	0.0059	0.3182
Mycobacterium tuberculosis	ATP phosphoribosyltransferase HisG	0.026	1	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0023	0.0795	0.8997
Brugia malayi	Cathepsin L-like precursor	0.0007	0.0145	0.021
Plasmodium vivax	vivapain-2	0.0007	0.0145	1
Echinococcus granulosus	cathepsin L	0.0003	0.0018	0.022
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0007	0.0145	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0007	0.0145	1
Schistosoma mansoni	G-protein beta subunit	0.0009	0.0226	0.0358
Schistosoma mansoni	cathepsin F (C01 family)	0.0005	0.0059	0.0093
Onchocerca volvulus		0.0007	0.0145	0.0126
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0024	0.0834	0.9347
Brugia malayi	Cathepsin L-like precursor	0.0007	0.0145	0.021
Echinococcus granulosus	F box protein 36	0.0009	0.0226	0.2713
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0003	0.0018	0.0029
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0007	0.0145	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0003	0.0018	0.0029
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0007	0.0145	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0007	0.0145	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0024	0.0834	1
Brugia malayi	Protein kinase domain containing protein	0.0166	0.6325	0.9151
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0007	0.0145	1
Brugia malayi	Papain family cysteine protease containing protein	0.0003	0.0018	0.0027

Activities

Activity type	Activity value	Assay description	Source	Reference
pKB (functional)	= 7.2	In vitro for its antagonistic activity against angiotensin II type 1 receptor in Rabbit Aorta	ChEMBL.	No reference

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

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 267396