TDR Targets

Basic information

Technical information

TDR Targets ID: 700938
Name: 2-[[1-(2-dimethylaminoethyl)-2-oxo-5,6,7,8-te trahydroquinazolin-4-yl]sulfanyl]-N-(4-ethoxy phenyl)acetamide
MW: 430.564 | Formula: C22H30N4O3S
H donors: 1 H acceptors: 2 LogP: 2.89 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1ccc(cc1)NC(=O)CSc1nc(=O)n(c2c1CCCC2)CCN(C)C
InChi: 1S/C22H30N4O3S/c1-4-29-17-11-9-16(10-12-17)23-20(27)15-30-21-18-7-5-6-8-19(18)26(22(28)24-21)14-13-25(2)3/h9-12H,4-8,13-15H2,1-3H3,(H,23,27)
InChiKey: AKODOMFPBJAKSN-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

2-[[1-(2-dimethylaminoethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]thio]-N-(4-ethoxyphenyl)acetamide
2-[[1-(2-dimethylaminoethyl)-2-keto-5,6,7,8-tetrahydroquinazolin-4-yl]thio]-N-(4-ethoxyphenyl)acetamide
2-[[1-(2-dimethylaminoethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-(4-ethoxyphenyl)ethanamide

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)	cytochrome P450	0.0015	0.0475	0.0809
Brugia malayi	Bloom's syndrome protein homolog	0.0021	0.1138	0.0696
Loa Loa (eye worm)	hypothetical protein	0.0011	0.00000000095711	0.0000000016313
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0021	0.1138	0.51
Plasmodium falciparum	phd finger protein, putative	0.0031	0.2231	1
Loa Loa (eye worm)	RecQ helicase	0.0021	0.1138	0.194
Echinococcus granulosus	bloom syndrome protein	0.0021	0.1138	0.0696
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0015	0.0475	0.5
Schistosoma mansoni	jumonji domain containing protein	0.008	0.7702	1
Echinococcus multilocularis	jumonji domain containing protein	0.0043	0.3569	0.3248
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0021	0.1138	0.7582
Leishmania major	cytochrome p450-like protein	0.0024	0.1501	1
Brugia malayi	jmjC domain containing protein	0.0037	0.295	0.2598
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0015	0.0475	0.5
Brugia malayi	hypothetical protein	0.0038	0.303	0.2683
Entamoeba histolytica	hypothetical protein	0.0038	0.303	1
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.0021	0.1138	0.194
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0015	0.0475	0.5
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0015	0.0475	0.5
Trichomonas vaginalis	DNA helicase recq, putative	0.0021	0.1138	0.5
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0021	0.1138	0.0696
Onchocerca volvulus	Alhambra homolog	0.0031	0.2231	0.5
Loa Loa (eye worm)	CYP4Cod1	0.0024	0.1501	0.2558
Brugia malayi	Cytochrome P450 family protein	0.0055	0.4944	0.4692
Entamoeba histolytica	hypothetical protein	0.0038	0.303	1
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0031	0.2231	0.1844
Trypanosoma brucei	cytochrome P450, putative	0.0024	0.1501	1
Entamoeba histolytica	hypothetical protein	0.0038	0.303	1
Giardia lamblia	PHD finger protein 15	0.0031	0.2231	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0037	0.295	0.383
Schistosoma mansoni	hypothetical protein	0.0031	0.2231	0.2897
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0015	0.0475	0.5
Schistosoma mansoni	hypothetical protein	0.0038	0.303	0.3935
Echinococcus granulosus	PHD finger protein rhinoceros	0.0031	0.2231	0.1844
Mycobacterium leprae	Conserved hypothetical protein	0.0015	0.0475	0.5
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0015	0.0475	0.3163
Brugia malayi	Cytochrome P450 family protein	0.0024	0.1501	0.1077
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0015	0.0475	0.5
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0015	0.0475	0.3163
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0021	0.1138	0.51
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0038	0.303	0.2683
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0015	0.0475	0.5
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0038	0.303	0.2683
Echinococcus multilocularis	bloom syndrome protein	0.0021	0.1138	0.0696
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0101	1	1
Entamoeba histolytica	recQ family helicase, putative	0.0021	0.1138	0.3755
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.0021	0.1138	0.0696
Loa Loa (eye worm)	cytochrome P450 family protein	0.0055	0.4944	0.8427
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0024	0.1501	1
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0015	0.0475	0.5
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0015	0.0475	0.5
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0021	0.1138	0.6464
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0031	0.2231	0.2897
Trichomonas vaginalis	DNA helicase recq, putative	0.0021	0.1138	0.5
Loa Loa (eye worm)	jmjC domain-containing protein	0.0037	0.295	0.5028
Toxoplasma gondii	PHD-finger domain-containing protein	0.0031	0.2231	1
Entamoeba histolytica	hypothetical protein	0.0038	0.303	1
Echinococcus multilocularis	lysine specific demethylase 5A	0.0037	0.295	0.2598
Loa Loa (eye worm)	hypothetical protein	0.0053	0.4671	0.7961
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0015	0.0475	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0015	0.0475	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0015	0.0475	0.5
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0101	1	1
Toxoplasma gondii	PHD-finger domain-containing protein	0.0031	0.2231	1
Trichomonas vaginalis	DNA helicase recq1, putative	0.0021	0.1138	0.5
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0021	0.1138	0.6464
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0037	0.295	0.383
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0015	0.0475	0.5
Loa Loa (eye worm)	cytochrome P450 family protein	0.0024	0.1501	0.2558
Brugia malayi	Bromodomain containing protein	0.0031	0.2231	0.1844
Loa Loa (eye worm)	hypothetical protein	0.0031	0.2231	0.3803
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0015	0.0475	0.5
Mycobacterium leprae	putative cytochrome p450	0.0015	0.0475	0.5
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.0021	0.1138	0.0696
Echinococcus granulosus	peregrin	0.0031	0.2231	0.1844
Treponema pallidum	ATP-dependent DNA helicase	0.0011	0.00000000095711	0.5
Brugia malayi	PHD-finger family protein	0.0031	0.2231	0.1844
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0015	0.0475	0.2128
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0015	0.0475	0.5
Echinococcus granulosus	lysine specific demethylase 5A	0.0037	0.295	0.2598
Loa Loa (eye worm)	hypothetical protein	0.0021	0.1138	0.194
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.0021	0.1138	0.0696
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0021	0.1138	0.0696
Echinococcus multilocularis	peregrin	0.0031	0.2231	0.1844
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0015	0.0475	0.5
Echinococcus granulosus	jumonji domain containing protein	0.0043	0.3569	0.3248
Brugia malayi	Cytochrome P450 family protein	0.0024	0.1501	0.1077
Loa Loa (eye worm)	PHD-finger family protein	0.0031	0.2231	0.3803
Schistosoma mansoni	cytochrome P450	0.0015	0.0475	0.0616
Schistosoma mansoni	transcription factor LCR-F1	0.0038	0.303	0.3935
Loa Loa (eye worm)	jmjC domain-containing protein	0.0064	0.5867	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0024	0.1501	0.2558
Trypanosoma cruzi	cytochrome P450, putative	0.0024	0.1501	1
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.0021	0.1138	0.0696
Schistosoma mansoni	DNA helicase recq5	0.0021	0.1138	0.1478
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0015	0.0475	0.5
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.0015	0.0475	0.3163
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0015	0.0475	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0015	0.0475	0.5
Trypanosoma cruzi	cytochrome P450, putative	0.0024	0.1501	1
Plasmodium vivax	hypothetical protein, conserved	0.0031	0.2231	1
Schistosoma mansoni	DNA helicase recq1	0.0021	0.1138	0.1478
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0015	0.0475	0.5
Schistosoma mansoni	hypothetical protein	0.0015	0.0475	0.0616

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 700938