TDR Targets

Basic information

Technical information

TDR Targets ID: 1636512
Name: 3-(2-azidophenyl)-4-bromooxadiazol-3-ium-5-ol ate
MW: 282.054 | Formula: C8H4BrN5O2
H donors: 1 H acceptors: 2 LogP: 4.13 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: [N-]=[N+]=Nc1ccccc1[n+]1noc(c1Br)[O-]
InChi: 1S/C8H4BrN5O2/c9-7-8(15)16-13-14(7)6-4-2-1-3-5(6)11-12-10/h1-4H
InChiKey: AEXBXPBLUJMSMO-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

3-(2-azidophenyl)-4-bromo-oxadiazol-3-ium-5-olate
3-(2-azidophenyl)-4-bromo-5-oxadiazol-3-iumolate
3-(2-azidophenyl)-4-bromo-1,2,3-oxadiazol-3-ium-5-olate
4-Bromo-3-(2-(2.lambda.~5~-1,2-triazadienyl)phenyl)-1,2,3.lambda.~5~-oxadiazol-5-ol, inner salt
AIDS-138229
AIDS138229
NSC644646

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)	thioredoxin reductase	0.0055	0.0321	0.023
Brugia malayi	hypothetical protein	0.0029	0.0094	0.0168
Chlamydia trachomatis	sulfite reductase	0.0227	0.1879	1
Trypanosoma cruzi	trypanothione reductase, putative	0.0055	0.0321	0.0745
Entamoeba histolytica	type A flavoprotein, putative	0.0141	0.1099	0.5
Mycobacterium tuberculosis	Probable reductase	0.0124	0.0953	0.8562
Entamoeba histolytica	type A flavoprotein, putative	0.0141	0.1099	0.5
Trypanosoma cruzi	oxidoreductase-protein, putative	0.0042	0.0206	0.0367
Plasmodium vivax	thioredoxin reductase, putative	0.0055	0.0321	0.0745
Plasmodium vivax	oxidoreductase NAD-binding domain containing protein	0.0042	0.0206	0.0367
Trypanosoma cruzi	NADH-dependent fumarate reductase, putative	0.0042	0.0206	0.0367
Onchocerca volvulus		0.0538	0.4683	1
Plasmodium vivax	flavodoxin domain containing protein	0.0326	0.2771	0.8764
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0055	0.0321	0.0371
Trichomonas vaginalis	sulfite reductase, putative	0.0368	0.3149	0.572
Trypanosoma brucei	oxidoreductase-protein, putative	0.0042	0.0206	0.0367
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.0292	0.0275
Onchocerca volvulus		0.0068	0.0441	0.0523
Trypanosoma cruzi	p450 reductase, putative	0.0368	0.3149	1
Leishmania major	NADH-dependent fumarate reductase-like protein	0.0042	0.0206	0.0367
Trypanosoma brucei	NADH-cytochrome b5 reductase, putative	0.0042	0.0206	0.0367
Trypanosoma brucei	S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative	0.0141	0.1099	0.3289
Trichomonas vaginalis	NADPH fad oxidoreductase, putative	0.0326	0.2771	0.4667
Trypanosoma cruzi	NADPH-dependent FMN/FAD containing oxidoreductase, putative	0.0368	0.3149	1
Toxoplasma gondii	NADH-cytochrome b5 reductase 1, putative	0.0042	0.0206	0.0812
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0124	0.0953	0.8562
Brugia malayi	flavodoxin family protein	0.0141	0.1099	0.1959
Trypanosoma cruzi	cytochrome-b5 reductase, putative	0.0042	0.0206	0.0367
Trypanosoma cruzi	NADH-cytochrome b5 reductase, putative	0.0042	0.0206	0.0367
Trypanosoma cruzi	NADH-cytochrome b5 reductase, putative	0.0042	0.0206	0.0367
Echinococcus granulosus	thioredoxin glutathione reductase	0.0055	0.0321	0.0371
Plasmodium falciparum	NADPH--cytochrome P450 reductase, putative	0.0141	0.1099	0.3289
Trypanosoma cruzi	NADH-cytochrome b5 reductase, putative	0.0042	0.0206	0.0367
Trypanosoma cruzi	NADH-cytochrome b5 reductase, putative	0.0042	0.0206	0.0367
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0368	0.3149	1
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.064	0.5608	1
Echinococcus multilocularis	geminin	0.0386	0.3318	1
Trypanosoma brucei	NADH-dependent fumarate reductase, putative	0.0042	0.0206	0.0367
Loa Loa (eye worm)	hypothetical protein	0.064	0.5608	0.5567
Trypanosoma cruzi	NADH-dependent fumarate reductase, putative	0.0042	0.0206	0.0367
Trypanosoma brucei	NADPH-dependent diflavin oxidoreductase 1	0.0368	0.3149	1
Loa Loa (eye worm)	diaphorase	0.0042	0.0206	0.0113
Trypanosoma brucei	NADH-dependent fumarate reductase, putative	0.0042	0.0206	0.0367
Leishmania major	oxidoreductase-like protein	0.0042	0.0206	0.0367
Brugia malayi	Thioredoxin reductase	0.0055	0.0321	0.0573
Entamoeba histolytica	type A flavoprotein, putative	0.0141	0.1099	0.5
Schistosoma mansoni	hypothetical protein	0.0386	0.3318	0.576
Brugia malayi	Pre-SET motif family protein	0.0472	0.4094	0.73
Brugia malayi	FAD binding domain containing protein	0.0227	0.1879	0.335
Schistosoma mansoni	NADPH flavin oxidoreductase	0.0185	0.1501	0.2398
Echinococcus granulosus	NADPH cytochrome P450 reductase	0.0368	0.3149	0.9458
Plasmodium falciparum	glutathione reductase	0.0055	0.0321	0.0745
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0051	0.0292	0.052
Entamoeba histolytica	type A flavoprotein, putative	0.0141	0.1099	0.5
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0068	0.0441	0.2507
Trypanosoma cruzi	p450 reductase, putative	0.0042	0.0206	0.0367
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0068	0.0441	0.0753
Plasmodium falciparum	thioredoxin reductase	0.0055	0.0321	0.0745
Plasmodium vivax	hypothetical protein, conserved	0.0141	0.1099	0.3289
Entamoeba histolytica	type A flavoprotein, putative	0.0141	0.1099	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0292	0.0158
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.0292	0.0275
Plasmodium falciparum	ferredoxin--NADP reductase	0.0042	0.0206	0.0367
Leishmania major	hypothetical protein, conserved	0.0141	0.1099	0.3289
Toxoplasma gondii	ferredoxin NADP+ oxidoreductase FNR	0.0042	0.0206	0.0812
Plasmodium vivax	ferredoxin--NADP reductase, putative	0.0042	0.0206	0.0367
Echinococcus granulosus	geminin	0.0386	0.3318	1
Trypanosoma brucei	NADH-cytochrome b5 reductase, putative	0.0042	0.0206	0.0367
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.0292	0.0275
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0368	0.3149	1
Plasmodium vivax	NADPH-cytochrome p450 reductase, putative	0.0368	0.3149	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0068	0.0441	0.0434
Echinococcus granulosus	methionine synthase reductase	0.0227	0.1879	0.5376
Trypanosoma brucei	nitrate reductase, putative	0.0042	0.0206	0.0367
Echinococcus multilocularis	methionine synthase reductase	0.0227	0.1879	0.5376
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0124	0.0953	0.8562
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0124	0.0953	0.8562
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0472	0.4094	0.4038
Leishmania major	NADH-cytochrome b5 reductase, putative	0.0042	0.0206	0.0367
Echinococcus multilocularis	NADPH cytochrome P450 reductase	0.0368	0.3149	0.9458
Echinococcus multilocularis	NADPH dependent diflavin oxidoreductase 1	0.0368	0.3149	0.9458
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.064	0.5608	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.0292	0.0275
Giardia lamblia	Nitric oxide synthase, inducible	0.0326	0.2771	1
Schistosoma mansoni	hypothetical protein	0.0386	0.3318	0.576
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0138	0.1078	1
Brugia malayi	Cytochrome b5-like Heme/Steroid binding domain containing protein	0.0042	0.0206	0.0368
Toxoplasma gondii	flavodoxin domain-containing protein	0.0182	0.1476	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.0068	0.0441	0.0753
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0068	0.0441	0.0434
Trypanosoma brucei	NADH-dependent fumarate reductase	0.0042	0.0206	0.0367
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0138	0.1078	1
Trypanosoma cruzi	NADH-cytochrome b5 reductase, putative	0.0042	0.0206	0.0367
Trypanosoma cruzi	Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative	0.0141	0.1099	0.3289
Loa Loa (eye worm)	cytochrome b5 reductase 4	0.0042	0.0206	0.0113
Trypanosoma cruzi	NADH-dependent fumarate reductase, putative	0.0042	0.0206	0.0367
Leishmania major	trypanothione reductase	0.0055	0.0321	0.0745
Trichomonas vaginalis	set domain proteins, putative	0.0538	0.4683	1
Brugia malayi	Pre-SET motif family protein	0.0068	0.0441	0.0785
Plasmodium vivax	glutathione reductase, putative	0.0055	0.0321	0.0745
Trypanosoma brucei	trypanothione reductase	0.0055	0.0321	0.0745
Loa Loa (eye worm)	glutathione reductase	0.0055	0.0321	0.023
Trypanosoma brucei	NADH-cytochrome b5 reductase, putative	0.0042	0.0206	0.0367
Leishmania major	cytochrome-b5 reductase, putative	0.0042	0.0206	0.0367
Trypanosoma cruzi	NADPH--cytochrome P450 reductase, putative	0.0141	0.1099	0.3289
Plasmodium falciparum	nitric oxide synthase, putative	0.0368	0.3149	1
Leishmania major	NADH-cytochrome b5 reductase, putative	0.0042	0.0206	0.0367
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0292	0.0158
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0042	0.0206	0.0367
Brugia malayi	flavodoxin family protein	0.0368	0.3149	0.5615
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0068	0.0441	0.0434
Schistosoma mansoni	diflavin oxidoreductase	0.0182	0.1476	0.2351
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0055	0.0321	0.1322
Trypanosoma cruzi	nitrate reductase, putative	0.0042	0.0206	0.0367
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0068	0.0441	0.0753
Loa Loa (eye worm)	flavodoxin family protein	0.0141	0.1099	0.1014
Trypanosoma cruzi	cytochrome-b5 reductase, putative	0.0042	0.0206	0.0367
Leishmania major	nitrate reductase, putative	0.0042	0.0206	0.0367
Leishmania major	reductase, putative	0.0042	0.0206	0.0367
Leishmania major	cytochrome P450 reductase, putative	0.0326	0.2771	0.8764
Trypanosoma cruzi	NADH-cytochrome b5 reductase, putative	0.0042	0.0206	0.0367
Trypanosoma brucei	NADH-cytochrome b5 reductase, putative	0.0042	0.0206	0.0367
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0368	0.3149	0.3084
Leishmania major	NADH-cytochrome b5 reductase, putative	0.0042	0.0206	0.0367
Toxoplasma gondii	thioredoxin reductase	0.0055	0.0321	0.1646
Leishmania major	p450 reductase, putative	0.0368	0.3149	1
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0368	0.3149	1
Plasmodium vivax	SET domain protein, putative	0.0068	0.0441	0.1134
Trypanosoma cruzi	NADH-dependent fumarate reductase, putative	0.0042	0.0206	0.0367
Toxoplasma gondii	flavodoxin domain-containing protein	0.0182	0.1476	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0292	0.0158
Leishmania major	NADH-dependent fumarate reductase, putative	0.0042	0.0206	0.0367
Trypanosoma brucei	NADH-cytochrome b5 reductase-like protein	0.0042	0.0206	0.0367
Trypanosoma brucei	NADH-cytochrome b5 reductase, putative	0.0042	0.0206	0.0367
Plasmodium falciparum	NADH-cytochrome b5 reductase, putative	0.0042	0.0206	0.0367
Trypanosoma brucei	NADH-cytochrome b5 reductase, putative	0.0042	0.0206	0.0367
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0068	0.0441	0.0434
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0441	0.035
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0065	0.0418	0.0681
Giardia lamblia	Hypothetical protein	0.0326	0.2771	1
Trypanosoma cruzi	NADH-dependent fumarate reductase, putative	0.0042	0.0206	0.0367
Trypanosoma cruzi	Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative	0.0141	0.1099	0.3289
Plasmodium falciparum	S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative	0.0141	0.1099	0.3289
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0227	0.1879	0.1802
Brugia malayi	glutathione reductase	0.0055	0.0321	0.0573
Brugia malayi	FAD binding domain containing protein	0.0368	0.3149	0.5615
Echinococcus granulosus	NADPH dependent diflavin oxidoreductase 1	0.0368	0.3149	0.9458
Treponema pallidum	flavodoxin	0.0141	0.1099	1
Trypanosoma cruzi	reductase, putative	0.0042	0.0206	0.0367
Leishmania major	NADPH-cytochrome p450 reductase-like protein	0.0368	0.3149	1
Trypanosoma cruzi	NADH-dependent fumarate reductase, putative	0.0042	0.0206	0.0367
Schistosoma mansoni	5-methyl tetrahydrofolate-homocysteine methyltransferase reductase	0.0227	0.1879	0.3096
Mycobacterium tuberculosis	Probable dehydrogenase	0.0124	0.0953	0.8562
Trypanosoma brucei	NADPH-cytochrome p450 reductase, putative	0.0368	0.3149	1
Brugia malayi	diaphorase	0.0042	0.0206	0.0368
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0051	0.0292	0.02
Trypanosoma brucei	NADH-dependent fumarate reductase	0.0042	0.0206	0.0367
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0124	0.0953	0.8562
Schistosoma mansoni	cytochrome P450 reductase	0.0368	0.3149	0.5447
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0138	0.1078	1
Mycobacterium ulcerans	formate dehydrogenase H FdhF	0.0368	0.3149	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0138	0.1078	1
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0368	0.3149	1
Loa Loa (eye worm)	hypothetical protein	0.0368	0.3149	0.3084
Leishmania major	cytochrome-b5 reductase, putative	0.0042	0.0206	0.0367
Loa Loa (eye worm)	hypothetical protein	0.064	0.5608	0.5567

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory)	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

ChEMBL: CHEMBL2005607

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 1636512