TDR Targets

Basic information

Technical information

TDR Targets ID: 606201
Name: N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl] propyl]-3,5-dimethoxy-N-(2-phenylethyl)benzam ide
MW: 575.697 | Formula: C36H37N3O4
H donors: 0 H acceptors: 2 LogP: 7.24 Rotable bonds: 12
Rule of 5 violations (Lipinski): 2
SMILES: CCC(c1nc2ccccc2c(=O)n1c1ccc(cc1)CC)N(C(=O)c1cc(OC)cc(c1)OC)CCc1ccccc1
InChi: 1S/C36H37N3O4/c1-5-25-16-18-28(19-17-25)39-34(37-32-15-11-10-14-31(32)36(39)41)33(6-2)38(21-20-26-12-8-7-9-13-26)35(40)27-22-29(42-3)24-30(23-27)43-4/h7-19,22-24,33H,5-6,20-21H2,1-4H3
InChiKey: PAOKZJHWPKNHRH-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

N-[1-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]propyl]-3,5-dimethoxy-N-(2-phenylethyl)benzamide
N-[1-[3-(4-ethylphenyl)-4-oxo-2-quinazolinyl]propyl]-3,5-dimethoxy-N-(2-phenylethyl)benzamide
N-[1-[3-(4-ethylphenyl)-4-keto-quinazolin-2-yl]propyl]-3,5-dimethoxy-N-(2-phenylethyl)benzamide

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)	beta-LACTamase domain containing family member	0.0035	0.0179	0.0179
Echinococcus multilocularis	lysine specific demethylase 5A	0.0072	0.1771	0.1621
Loa Loa (eye worm)	RNA binding protein	0.0261	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0261	1	1
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0041	0.0437	0.0314
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.2694	0.2581
Plasmodium vivax	hypothetical protein, conserved	0.0059	0.1229	1
Echinococcus granulosus	thioredoxin glutathione reductase	0.0042	0.0461	0.0287
Brugia malayi	chromobox protein homolog 3	0.004	0.0371	0.0222
Trypanosoma cruzi	trypanothione reductase, putative	0.0041	0.0437	1
Brugia malayi	PHD-finger family protein	0.0059	0.1229	0.1093
Echinococcus granulosus	jumonji domain containing protein	0.0082	0.2237	0.2096
Plasmodium falciparum	phd finger protein, putative	0.0059	0.1229	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.0371	0.0371
Plasmodium vivax	glutathione reductase, putative	0.0041	0.0437	0.2462
Mycobacterium tuberculosis	Probable reductase	0.0094	0.2723	0.3094
Brugia malayi	Bromodomain containing protein	0.0059	0.1229	0.1093
Echinococcus multilocularis	jumonji domain containing protein	0.0082	0.2237	0.2096
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0059	0.1229	0.1069
Echinococcus granulosus	PHD finger protein rhinoceros	0.0059	0.1229	0.1069
Loa Loa (eye worm)	PHD-finger family protein	0.0059	0.1229	0.1229
Schistosoma mansoni	tar DNA-binding protein	0.0261	1	1
Brugia malayi	beta-lactamase family protein	0.0035	0.0179	0.0027
Leishmania major	trypanothione reductase	0.0041	0.0437	1
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0094	0.2723	0.8485
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0152	0.0152
Brugia malayi	jmjC domain containing protein	0.0072	0.1771	0.1643
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.0179	0.5
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0179	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1229	0.1229
Brugia malayi	Thioredoxin reductase	0.0041	0.0437	0.029
Onchocerca volvulus		0.0035	0.0179	0.1456
Mycobacterium ulcerans	hypothetical protein	0.0035	0.0179	0.5
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0179	0.0179
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0093	0.2694	0.2561
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0179	0.0179
Mycobacterium tuberculosis	Probable dehydrogenase	0.0094	0.2723	0.3094
Loa Loa (eye worm)	transcription factor SMAD2	0.013	0.4284	0.4284
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0371	0.1249
Loa Loa (eye worm)	hypothetical protein	0.005	0.0846	0.0846
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0179	0.0179
Schistosoma mansoni	tar DNA-binding protein	0.0261	1	1
Mycobacterium ulcerans	lipase LipD	0.0035	0.0179	0.5
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0179	0.0179
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0042	0.0461	0.0287
Loa Loa (eye worm)	MH2 domain-containing protein	0.013	0.4284	0.4284
Loa Loa (eye worm)	heterochromatin protein 1	0.0071	0.1718	0.1718
Trichomonas vaginalis	chromobox protein, putative	0.0071	0.1718	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0093	0.2694	0.2561
Onchocerca volvulus		0.0035	0.0179	0.1456
Loa Loa (eye worm)	jmjC domain-containing protein	0.0072	0.1771	0.1771
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0093	0.2694	0.2561
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0846	0.0846
Mycobacterium ulcerans	beta-lactamase	0.0035	0.0179	0.5
Plasmodium vivax	thioredoxin reductase, putative	0.0041	0.0437	0.2462
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0179	0.0179
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.2694	0.2581
Brugia malayi	TAR-binding protein	0.0261	1	1
Schistosoma mansoni	chromobox protein	0.0071	0.1718	0.159
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0194	0.7088	0.7035
Trypanosoma brucei	trypanothione reductase	0.0041	0.0437	1
Echinococcus granulosus	peregrin	0.0059	0.1229	0.1069
Toxoplasma gondii	thioredoxin reductase	0.0041	0.0437	0.2462
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0072	0.1771	0.1643
Echinococcus granulosus	tar DNA binding protein	0.0261	1	1
Echinococcus multilocularis	chromobox protein 1	0.0071	0.1718	0.1567
Trichomonas vaginalis	chromobox protein, putative	0.0071	0.1718	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0104	0.3177	0.3647
Echinococcus multilocularis	chromobox protein 1	0.0071	0.1718	0.1567
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0104	0.3177	1
Onchocerca volvulus	Alhambra homolog	0.0059	0.1229	1
Loa Loa (eye worm)	TAR-binding protein	0.0261	1	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0179	0.0027
Loa Loa (eye worm)	jmjC domain-containing protein	0.0122	0.3971	0.3971
Schistosoma mansoni	tar DNA-binding protein	0.0261	1	1
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0094	0.2723	0.3094
Schistosoma mansoni	jumonji domain containing protein	0.0154	0.5355	0.5283
Brugia malayi	glutathione reductase	0.0041	0.0437	0.029
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0094	0.2723	0.3094
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0846	0.0704
Loa Loa (eye worm)	glutathione reductase	0.0041	0.0437	0.0437
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0179	0.0027
Echinococcus multilocularis	peregrin	0.0059	0.1229	0.1069
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0371	0.1249
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0072	0.1771	0.1643
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0194	0.7088	0.7035
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.004	0.0371	0.302
Echinococcus granulosus	chromobox protein 1	0.0071	0.1718	0.1567
Schistosoma mansoni	chromobox protein	0.0071	0.1718	0.159
Trichomonas vaginalis	chromobox protein, putative	0.0043	0.0502	0.2096
Giardia lamblia	PHD finger protein 15	0.0059	0.1229	0.5
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0043	0.0502	0.4082
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.0179	0.5
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0094	0.2723	0.3094
Echinococcus granulosus	lysine specific demethylase 5A	0.0072	0.1771	0.1621
Brugia malayi	beta-lactamase family protein	0.0035	0.0179	0.0027
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0093	0.2694	0.2694
Brugia malayi	RNA recognition motif domain containing protein	0.0261	1	1
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0094	0.2723	0.3094
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0261	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.2694	0.2581
Brugia malayi	MH2 domain containing protein	0.013	0.4284	0.4195
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0179	0.0179
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0846	0.0704
Loa Loa (eye worm)	hypothetical protein	0.0102	0.3069	0.3069
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0104	0.3177	0.3647
Brugia malayi	Heterochromatin protein 1	0.0071	0.1718	0.159
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0093	0.2694	0.2581
Echinococcus granulosus	chromobox protein 1	0.0071	0.1718	0.1567
Brugia malayi	beta-lactamase	0.0035	0.0179	0.0027
Toxoplasma gondii	PHD-finger domain-containing protein	0.0059	0.1229	1
Loa Loa (eye worm)	thioredoxin reductase	0.0041	0.0437	0.0437
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0059	0.1229	0.1093
Schistosoma mansoni	tar DNA-binding protein	0.0261	1	1
Echinococcus multilocularis	tar DNA binding protein	0.0261	1	1
Toxoplasma gondii	PHD-finger domain-containing protein	0.0059	0.1229	1
Schistosoma mansoni	hypothetical protein	0.0059	0.1229	0.1093
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0179	0.0179
Trichomonas vaginalis	chromobox protein, putative	0.0043	0.0502	0.2096
Mycobacterium tuberculosis	Probable oxidoreductase	0.0104	0.3177	0.3647
Onchocerca volvulus		0.0035	0.0179	0.1456
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0093	0.2694	0.2561
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0224	0.84	1
Brugia malayi	jmjC domain containing protein	0.0194	0.7088	0.7043

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)		NOVARTIS: Antimalarial liver stage activity measured as a greater than 50% reduction in Plasmodium yoelii schizont area in HepG2-A16-CD81 cells at 10uM compound concentration, determined by immuno-fluorescence.	ChEMBL.	22096101
CC50 (functional)	> 10 uM	Huh7 cytotoxicity for Pf inhibitors	Novartis-GNF Malaria Box.	No reference
CC50	> 10 uM	NOVARTIS: Cytotoxicity against human hepatocellular carcinoma cell line (Huh7)	ChEMBL.	18579783
EC50 (functional)	= 0.2915 uM	W2 Pf proliferation inhibition	Novartis-GNF Malaria Box.	No reference
EC50 (functional)	= 0.2915 uM	NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay	ChEMBL.	18579783
EC50 (functional)	> 0.547 uM	PF proliferation inhibition 3D7	Novartis-GNF Malaria Box.	No reference
EC50 (functional)	> 0.547 uM	NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay	ChEMBL.	18579783
IFI promiscuity index	= 0.02778	IFI promiscuity index	Novartis-GNF Malaria Box.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23	18579783

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: CHEMBL602979
Search by Novartis-GNF Malaria Box

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 606201