TDR Targets

Basic information

Technical information

TDR Targets ID: 798946
Name: 6-bromo-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-N -(3-propan-2-yloxypropyl)-1H-quinazoline-4-ca rboxamide
MW: 492.363 | Formula: C22H26BrN3O5
H donors: 3 H acceptors: 3 LogP: 2.69 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: COc1cccc(c1)N1C(=O)Nc2c(C1(O)C(=O)NCCCOC(C)C)cc(cc2)Br
InChi: 1S/C22H26BrN3O5/c1-14(2)31-11-5-10-24-20(27)22(29)18-12-15(23)8-9-19(18)25-21(28)26(22)16-6-4-7-17(13-16)30-3/h4,6-9,12-14,29H,5,10-11H2,1-3H3,(H,24,27)(H,25,28)
InChiKey: HLPXLJGUALAYFO-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

6-bromo-4-hydroxy-N-(3-isopropoxypropyl)-3-(3-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide
6-bromo-4-hydroxy-N-(3-isopropoxypropyl)-2-keto-3-(3-methoxyphenyl)-1H-quinazoline-4-carboxamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ataxin 2	Starlite/ChEMBL	No references

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
Mycobacterium tuberculosis	Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase	0.0418	0.526	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0018	0.0023	0.0043
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0104	0.0197
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0028	0.0153	0.122
Trypanosoma cruzi	GMP reductase	0.0418	0.526	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0104	0.0197
Echinococcus multilocularis	microtubule associated protein 2	0.078	1	1
Mycobacterium ulcerans	inosine 5'-monophosphate dehydrogenase	0.0418	0.526	1
Entamoeba histolytica	Sir2 family transcriptional regulator, putative	0.0112	0.1254	1
Leishmania major	guanosine monophosphate reductase	0.0418	0.526	1
Onchocerca volvulus	Putative GMP reductase	0.0182	0.2174	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0217	0.0413
Plasmodium vivax	inosine-5'-monophosphate dehydrogenase, putative	0.0413	0.5195	1
Trypanosoma brucei	inosine-5'-monophosphate dehydrogenase	0.0418	0.526	1
Brugia malayi	MH2 domain containing protein	0.0144	0.1672	0.318
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0112	0.1254	1
Brugia malayi	Importin beta-1 subunit	0.0035	0.0239	0.0455
Mycobacterium ulcerans	inosine 5-monophosphate dehydrogenase	0.0187	0.2239	0.4256
Brugia malayi	RNA, U transporter 1	0.0099	0.1081	0.2055
Trichomonas vaginalis	importin beta-1, putative	0.0028	0.0153	0.122
Echinococcus granulosus	chromatin regulatory protein sir2	0.0112	0.1254	0.1254
Brugia malayi	inosine-5'-monophosphate dehydrogenase	0.0182	0.2174	0.4134
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	0.0418	0.526	1
Schistosoma mansoni	hypothetical protein	0.0033	0.0217	0.0217
Loa Loa (eye worm)	IMP dehydrogenase 1	0.0418	0.526	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0023	0.0043
Toxoplasma gondii	IMP dehydrogenas	0.0418	0.526	1
Echinococcus granulosus	snurportin 1	0.0372	0.4655	0.4655
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0023	0.0043
Trypanosoma brucei	importin beta-1 subunit, putative	0.0035	0.0239	0.0455
Echinococcus multilocularis	chromatin regulatory protein sir2	0.0112	0.1254	0.1254
Trypanosoma brucei	GMP reductase	0.0418	0.526	1
Brugia malayi	hypothetical protein	0.003	0.0182	0.0346
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0104	0.0197
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0104	0.0828
Leishmania major	hypothetical protein, conserved	0.003	0.0182	0.0346
Schistosoma mansoni	chromatin regulatory protein sir2	0.0112	0.1254	0.1254
Echinococcus multilocularis	snurportin 1	0.0372	0.4655	0.4655
Trypanosoma cruzi	Silent information regulator 2 related protein 1	0.0112	0.1254	0.2385
Entamoeba histolytica	hypothetical protein	0.0071	0.0709	0.565
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0112	0.1254	1
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0104	0.0197
Entamoeba histolytica	hypothetical protein	0.0071	0.0709	0.565
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.001	0.0018
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0104	0.0197
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0023	0.0043
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	0.0418	0.526	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0071	0.0709	0.0709
Echinococcus granulosus	geminin	0.0164	0.1928	0.1928
Mycobacterium ulcerans	inosine 5-monophosphate dehydrogenase	0.0413	0.5195	0.9877
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.1672	0.318
Leishmania major	inosine-5-monophosphate dehydrogenase	0.0418	0.526	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.001	0.0018
Brugia malayi	transcriptional regulator, Sir2 family protein	0.0112	0.1254	0.2385
Schistosoma mansoni	microtubule-associated protein tau	0.078	1	1
Leishmania major	silent information regulator 2, putative	0.0112	0.1254	0.2385
Entamoeba histolytica	hypothetical protein	0.0071	0.0709	0.565
Plasmodium falciparum	inosine-5'-monophosphate dehydrogenase	0.0413	0.5195	1
Echinococcus multilocularis	inosine 5' monophosphate dehydrogenase 2	0.0418	0.526	0.526
Echinococcus multilocularis	NAD dependent deacetylase sirtuin 3	0.0112	0.1254	0.1254
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0071	0.0709	0.0709
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0182	0.035
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.0418	0.0795
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.1672	0.318
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0104	0.0197
Mycobacterium tuberculosis	Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase	0.0231	0.2804	0.5331
Schistosoma mansoni	importin beta-1	0.0035	0.0239	0.0239
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0104	0.0197
Loa Loa (eye worm)	GMP reductase	0.0182	0.2174	0.4134
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0028	0.0153	0.122
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0104	0.0828
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.0023	0.0044
Entamoeba histolytica	hypothetical protein	0.0071	0.0709	0.565
Plasmodium vivax	importin-beta 2, putative	0.0035	0.0239	0.0461
Entamoeba histolytica	acyl-coA synthetase, putative	0.0024	0.0104	0.0828
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0104	0.0197
Mycobacterium leprae	Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena	0.0231	0.2804	0.5237
Echinococcus granulosus	inosine 5' monophosphate dehydrogenase 2	0.0418	0.526	0.526
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0023	0.5
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0104	0.0197
Schistosoma mansoni	chromatin regulatory protein sir2	0.0112	0.1254	0.1254
Schistosoma mansoni	transcription factor LCR-F1	0.0071	0.0709	0.0709
Trypanosoma cruzi	Silent information regulator 2 related protein 1	0.0112	0.1254	0.2385
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.001	0.0018
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0104	0.0197
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.0418	0.0795
Brugia malayi	hypothetical protein	0.0071	0.0709	0.1347
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.0023	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0023	0.0043
Brugia malayi	inosine-5'-monophosphate dehydrogenase	0.0182	0.2174	0.4134
Loa Loa (eye worm)	hypothetical protein	0.003	0.0182	0.0346
Leishmania major	importin beta-1 subunit, putative	0.0028	0.0153	0.0291
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0239	0.0455
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0182	0.0346
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.001	0.0018
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.0418	0.0795
Schistosoma mansoni	hypothetical protein	0.0164	0.1928	0.1928
Echinococcus granulosus	NAD dependent deacetylase sirtuin 3	0.0112	0.1254	0.1254
Entamoeba histolytica	Sir2 family transcriptional regulator, putative	0.0112	0.1254	1
Schistosoma mansoni	hypothetical protein	0.0071	0.0709	0.0709
Toxoplasma gondii	HEAT repeat-containing protein	0.0035	0.0239	0.0455
Brugia malayi	GMP reductase	0.0182	0.2174	0.4134
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0104	0.0197
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0023	0.0043
Trypanosoma brucei	Silent information regulator 2 related protein 1	0.0112	0.1254	0.2385
Plasmodium vivax	ataxin-2 like protein, putative	0.003	0.0182	0.035
Schistosoma mansoni	inosine-5-monophosphate dehydrogenase	0.0418	0.526	0.526
Trypanosoma cruzi	GMP reductase	0.0418	0.526	1
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0028	0.0153	0.0291
Echinococcus multilocularis	geminin	0.0164	0.1928	0.1928
Trypanosoma brucei	PAB1-binding protein , putative	0.003	0.0182	0.0346
Brugia malayi	hypothetical protein	0.002	0.004	0.0077
Mycobacterium leprae	Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD)	0.0418	0.526	1
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0104	0.0197
Plasmodium falciparum	importin beta, putative	0.0035	0.0239	0.0461
Schistosoma mansoni	chromatin regulatory protein sir2	0.0112	0.1254	0.1254
Trypanosoma brucei	importin beta-1 subunit, putative	0.0035	0.0239	0.0455
Schistosoma mansoni	hypothetical protein	0.0372	0.4655	0.4655
Echinococcus granulosus	importin subunit beta 1	0.0035	0.0239	0.0239
Schistosoma mansoni	hypothetical protein	0.0164	0.1928	0.1928
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0104	0.0197
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0104	0.0197
Entamoeba histolytica	hypothetical protein	0.0028	0.0153	0.122
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0023	0.0043
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	0.0418	0.526	1
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0104	0.0197
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0104	0.0197
Giardia lamblia	Hypothetical protein	0.0112	0.1254	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0418	0.0795
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0104	0.0197
Loa Loa (eye worm)	transcriptional regulator	0.0112	0.1254	0.2385
Echinococcus multilocularis	importin subunit beta 1	0.0035	0.0239	0.0239
Wolbachia endosymbiont of Brugia malayi	IMP dehydrogenase	0.0418	0.526	0.5
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0182	0.0346
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0217	0.0413
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0372	0.4655	0.8849
Toxoplasma gondii	LsmAD domain-containing protein	0.003	0.0182	0.0346
Brugia malayi	inosine-5'-monophosphate dehydrogenase family protein	0.0418	0.526	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0182	0.035
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0104	0.0197
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0104	0.0197
Mycobacterium leprae	PROBABLE INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE GUAB1(IMP DEHYDROGENASE) (IMPDH) (IMPD)	0.0187	0.2239	0.4141

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.0708 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10.4179 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1889025
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 798946