TDR Targets

Basic information

Technical information

TDR Targets ID: 655695
Name: N-(3-fluoro-4-methylphenyl)-2-(3,4,5-trimetho xyphenyl)quinazolin-4-amine
MW: 419.448 | Formula: C24H22FN3O3
H donors: 1 H acceptors: 2 LogP: 5.46 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(cc(c1OC)OC)c1nc(Nc2ccc(c(c2)F)C)c2c(n1)cccc2
InChi: 1S/C24H22FN3O3/c1-14-9-10-16(13-18(14)25)26-24-17-7-5-6-8-19(17)27-23(28-24)15-11-20(29-2)22(31-4)21(12-15)30-3/h5-13H,1-4H3,(H,26,27,28)
InChiKey: JVKQNQNMNCTINJ-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-(3-fluoro-4-methyl-phenyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
N-(3-fluoro-4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-4-quinazolinamine
(3-fluoro-4-methyl-phenyl)-[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]amine
Oprea1_097959
ChemDiv3_002392

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
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.006	0.5
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.006	0.006
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0096	0.2046	0.2046
Brugia malayi	beta-lactamase	0.0036	0.006	0.0092
Loa Loa (eye worm)	carboxylesterase	0.0202	0.5581	0.8604
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.006	0.0092
Schistosoma mansoni	survival motor neuron protein	0.0047	0.042	0.042
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0096	0.2046	0.2046
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.006	0.0092
Echinococcus multilocularis	acetylcholinesterase	0.0202	0.5581	0.5581
Brugia malayi	beta-lactamase family protein	0.0036	0.006	0.0092
Echinococcus multilocularis	polycomb protein SCMH1	0.0048	0.0479	0.0479
Onchocerca volvulus		0.0036	0.006	0.1243
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0096	0.2046	0.2046
Loa Loa (eye worm)	hypothetical protein	0.0229	0.6487	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.006	0.0092
Mycobacterium ulcerans	beta-lactamase	0.0036	0.006	1
Loa Loa (eye worm)	beta-lactamase	0.0036	0.006	0.0092
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.006	1
Mycobacterium leprae	Probable lipase LipE	0.0036	0.006	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0096	0.2046	0.2046
Echinococcus multilocularis	geminin	0.0335	1	1
Echinococcus granulosus	acetylcholinesterase	0.0202	0.5581	0.5581
Brugia malayi	hypothetical protein	0.0229	0.6487	1
Onchocerca volvulus		0.0036	0.006	0.1243
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0055	0.0702	0.0702
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0096	0.2046	0.2046
Mycobacterium tuberculosis	Conserved protein	0.0036	0.006	0.0092
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.006	0.5
Loa Loa (eye worm)	hypothetical protein	0.0036	0.006	0.0092
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.006	0.0092
Echinococcus granulosus	polycomb protein SCMH1	0.0048	0.0479	0.0479
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0702	0.1082
Loa Loa (eye worm)	hypothetical protein	0.0202	0.5581	0.8604
Echinococcus granulosus	SAM and MBT domain containing protein	0.0048	0.0479	0.0479
Onchocerca volvulus		0.0048	0.0479	1
Schistosoma mansoni	sex comb on midleg homolog	0.0048	0.0479	0.0479
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.006	1
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.006	0.0092
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0096	0.2046	0.2046
Loa Loa (eye worm)	MBCTL1	0.0055	0.0702	0.1082
Schistosoma mansoni	hypothetical protein	0.0299	0.8817	0.8817
Schistosoma mansoni	hypothetical protein	0.0335	1	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.006	0.0092
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.006	1
Schistosoma mansoni	sex comb on midleg homolog	0.0048	0.0479	0.0479
Echinococcus granulosus	survival motor neuron protein 1	0.0229	0.6487	0.6487
Onchocerca volvulus		0.0047	0.042	0.8769
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.006	0.5
Trichomonas vaginalis	esterase, putative	0.0036	0.006	1
Echinococcus granulosus	histone acetyltransferase MYST2	0.0055	0.0702	0.0702
Leishmania major	hypothetical protein, conserved	0.0036	0.006	0.5
Loa Loa (eye worm)	hypothetical protein	0.0202	0.5581	0.8604
Brugia malayi	beta-lactamase family protein	0.0036	0.006	0.0092
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0048	0.0479	0.0479
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.006	0.006
Echinococcus multilocularis	carboxylesterase 5A	0.0202	0.5581	0.5581
Mycobacterium ulcerans	lipase LipD	0.0036	0.006	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.006	0.0092
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.006	0.5
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.006	1
Schistosoma mansoni	hypothetical protein	0.0047	0.042	0.042
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0096	0.2046	0.3154
Echinococcus multilocularis	acetylcholinesterase	0.0202	0.5581	0.5581
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.006	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0479	0.0738
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.006	1
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.006	0.0092
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0048	0.0479	0.0479
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0055	0.0702	0.0702
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0055	0.0702	0.0702
Schistosoma mansoni	hypothetical protein	0.0335	1	1
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0195	0.5367	0.5367
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0096	0.2046	0.2046
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0202	0.5581	0.5581
Echinococcus granulosus	acetylcholinesterase	0.0202	0.5581	0.5581
Brugia malayi	mbt repeat family protein	0.0048	0.0479	0.0738
Mycobacterium tuberculosis	Conserved protein	0.0036	0.006	0.0092
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0048	0.0479	1
Brugia malayi	Carboxylesterase family protein	0.0202	0.5581	0.8604
Brugia malayi	mbt repeat family protein	0.0048	0.0479	0.0738
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.006	0.0092
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0055	0.0702	0.1082
Echinococcus multilocularis	survival motor neuron protein 1	0.0229	0.6487	0.6487
Loa Loa (eye worm)	mbt repeat family protein	0.0048	0.0479	0.0738
Loa Loa (eye worm)	hypothetical protein	0.0036	0.006	0.0092
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.006	1
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0195	0.5367	0.5367
Loa Loa (eye worm)	hypothetical protein	0.0036	0.006	0.0092
Onchocerca volvulus		0.0036	0.006	0.1243
Mycobacterium tuberculosis	Conserved protein	0.0036	0.006	0.0092
Brugia malayi	Carboxylesterase family protein	0.0202	0.5581	0.8604
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.006	0.006
Loa Loa (eye worm)	acetylcholinesterase 1	0.0202	0.5581	0.8604
Toxoplasma gondii	ABC1 family protein	0.0036	0.006	0.5
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.006	0.5
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0096	0.2046	0.3154
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.006	0.006
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0229	0.6496	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.006	0.0092
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0055	0.0702	0.0702
Mycobacterium ulcerans	hypothetical protein	0.0036	0.006	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.006	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0036	0.006	0.0092
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.042	0.0647
Echinococcus granulosus	carboxylesterase 5A	0.0202	0.5581	0.5581

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 655695