TDR Targets

Basic information

Technical information

TDR Targets ID: 1395710
Name: 2-(8-ethyl-4-phenylquinazolin-2-yl)sulfanyl-N -(4-methoxyphenyl)acetamide
MW: 429.534 | Formula: C25H23N3O2S
H donors: 1 H acceptors: 3 LogP: 5.72 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)NC(=O)CSc1nc(c2ccccc2)c2c(n1)c(CC)ccc2
InChi: 1S/C25H23N3O2S/c1-3-17-10-7-11-21-23(17)27-25(28-24(21)18-8-5-4-6-9-18)31-16-22(29)26-19-12-14-20(30-2)15-13-19/h4-15H,3,16H2,1-2H3,(H,26,29)
InChiKey: QYDCZTGCPHQBJQ-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-(8-ethyl-4-phenyl-quinazolin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
2-[(8-ethyl-4-phenyl-2-quinazolinyl)thio]-N-(4-methoxyphenyl)acetamide
2-[(8-ethyl-4-phenyl-quinazolin-2-yl)thio]-N-(4-methoxyphenyl)acetamide
2-(8-ethyl-4-phenyl-quinazolin-2-yl)sulfanyl-N-(4-methoxyphenyl)ethanamide
D157-0160
NCGC00116382-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948

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
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0185	0.2464	1
Treponema pallidum	hypothetical protein	0.0293	0.3969	0.5
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0102	0.1303	0.1303
Echinococcus granulosus	Small ubiquitin modifier 2	0.0032	0.0313	0.0313
Trypanosoma brucei	DNA polymerase kappa, putative	0.0102	0.1303	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.048	0.0637
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0032	0.0316	0.6589
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.048	0.169
Brugia malayi	ImpB/MucB/SamB family protein	0.0102	0.1303	0.1728
Plasmodium falciparum	DNA repair protein REV1, putative	0.0032	0.0316	0.001
Trypanosoma brucei	DNA polymerase kappa, putative	0.0032	0.0316	0.0036
Leishmania major	hypothetical protein, conserved	0.0043	0.048	0.169
Trichomonas vaginalis	DNA polymerase eta, putative	0.0102	0.1303	0.1699
Trypanosoma brucei	DNA polymerase IV, putative	0.0102	0.1303	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.3755	0.9387
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.048	0.0604
Trichomonas vaginalis	glutaminase, putative	0.0548	0.754	1
Trypanosoma cruzi	DNA damage repair protein, putative	0.0032	0.0316	0.0036
Toxoplasma gondii	BRCA1 C Terminus (BRCT) domain-containing protein	0.0032	0.0316	0.6589
Leishmania major	DNA damage repair protein, putative	0.0032	0.0316	0.0036
Mycobacterium ulcerans	glutaminase	0.0548	0.754	1
Echinococcus multilocularis	dna polymerase kappa	0.0102	0.1303	0.1303
Loa Loa (eye worm)	glutaminase 2	0.0548	0.754	1
Schistosoma mansoni	hypothetical protein	0.0724	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0102	0.1303	1
Schistosoma mansoni	hypothetical protein	0.0724	1	1
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0102	0.1303	0.1303
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0102	0.1303	0.1728
Toxoplasma gondii	ABC1 family protein	0.0043	0.048	1
Schistosoma mansoni	DNA polymerase eta	0.0102	0.1303	0.1303
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.048	0.0604
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0102	0.1303	1
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.048	0.169
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0102	0.1303	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.048	0.0604
Trypanosoma brucei	DNA polymerase kappa, putative	0.0102	0.1303	1
Echinococcus granulosus	dna polymerase kappa	0.0102	0.1303	0.1303
Loa Loa (eye worm)	glutaminase	0.0548	0.754	1
Onchocerca volvulus		0.0043	0.048	0.1949
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.048	0.0637
Trypanosoma brucei	DNA polymerase kappa, putative	0.0102	0.1303	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.048	0.0637
Leishmania major	DNA polymerase kappa, putative	0.0032	0.0316	0.0036
Trypanosoma brucei	DNA polymerase kappa, putative	0.0102	0.1303	1
Echinococcus multilocularis	Small ubiquitin modifier 2	0.0032	0.0313	0.0313
Trypanosoma brucei	DNA polymerase IV, putative	0.0102	0.1303	1
Schistosoma mansoni	DNA polymerase IV / kappa	0.0032	0.0316	0.0316
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.048	0.0604
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0032	0.0316	0.6589
Entamoeba histolytica	ubiquitin like protein	0.0032	0.0313	0.2243
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0.048	0.0227
Mycobacterium ulcerans	hypothetical protein	0.0043	0.048	0.0227
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0102	0.1303	0.1303
Trypanosoma brucei	DNA polymerase kappa, putative	0.0071	0.0859	0.5516
Leishmania major	DNA polymerase kappa, putative	0.0102	0.1303	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0071	0.0859	0.5516
Trypanosoma brucei	DNA polymerase kappa, putative	0.0032	0.0316	0.0036
Brugia malayi	hypothetical protein	0.0011	0.0027	0.0035
Brugia malayi	glutaminase DH11.1	0.0548	0.754	1
Loa Loa (eye worm)	SMO-1 protein	0.0032	0.0313	0.0415
Schistosoma mansoni	ubiquitin-like protein sumo/smt3-related	0.0032	0.0313	0.0313
Brugia malayi	ImpB/MucB/SamB family protein	0.0102	0.1303	0.1728
Loa Loa (eye worm)	hypothetical protein	0.0102	0.1303	0.1728
Trypanosoma brucei	DNA polymerase kappa, putative	0.0102	0.1303	1
Echinococcus multilocularis	dna polymerase eta	0.0102	0.1303	0.1303
Trypanosoma brucei	DNA polymerase kappa, putative	0.0071	0.0859	0.5516
Echinococcus multilocularis	geminin	0.0724	1	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0102	0.1303	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0102	0.1303	0.2358
Brugia malayi	N-terminal motif family protein	0.0185	0.2464	0.3268
Trypanosoma brucei	DNA polymerase eta, putative	0.0102	0.1303	1
Trypanosoma brucei	unspecified product	0.0071	0.0859	0.5516
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0102	0.1303	0.1699
Trypanosoma brucei	unspecified product	0.0071	0.0859	0.5516
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.048	0.0458
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.048	0.0604
Loa Loa (eye worm)	hypothetical protein	0.0043	0.048	0.0637
Onchocerca volvulus		0.0011	0.0027	0.0108
Leishmania major	DNA polymerase eta, putative	0.0102	0.1303	1
Onchocerca volvulus		0.0043	0.048	0.1949
Trichomonas vaginalis	esterase, putative	0.0043	0.048	0.0604
Trypanosoma brucei	DNA polymerase kappa, putative	0.0102	0.1303	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0102	0.1303	1
Echinococcus multilocularis	ubiquitin	0.0011	0.0027	0.0027
Trypanosoma cruzi	DNA polymerase eta, putative	0.0032	0.0316	0.0036
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0102	0.1303	0.1303
Loa Loa (eye worm)	beta-lactamase	0.0043	0.048	0.0637
Trypanosoma brucei	DNA polymerase IV, putative	0.0102	0.1303	1
Brugia malayi	beta-lactamase	0.0043	0.048	0.0637
Schistosoma mansoni	glutaminase	0.0548	0.754	0.754
Loa Loa (eye worm)	hypothetical protein	0.0185	0.2464	0.3268
Brugia malayi	beta-lactamase family protein	0.0043	0.048	0.0637
Trypanosoma brucei	unspecified product	0.0102	0.1303	1
Trypanosoma brucei	chrX additional, unordered contigs	0.0032	0.0316	0.0036
Trypanosoma brucei	DNA damage repair protein, putative	0.0032	0.0316	0.0036
Trypanosoma brucei	DNA polymerase kappa, putative	0.0102	0.1303	1
Plasmodium falciparum	nicotinamide/nicotinic acid mononucleotide adenylyltransferase	0.0293	0.3969	1
Brugia malayi	polk-prov protein	0.0032	0.0316	0.042
Mycobacterium ulcerans	lipase LipD	0.0043	0.048	0.0227
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0102	0.1303	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0.048	0.0227
Trypanosoma cruzi	DNA damage repair protein, putative	0.0032	0.0316	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0027	0.0035
Echinococcus granulosus	ubiquitin	0.0011	0.0027	0.0027
Toxoplasma gondii	small ubiquitin family modifier, putative	0.0032	0.0313	0.6515
Mycobacterium ulcerans	beta-lactamase	0.0043	0.048	0.0227
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0102	0.1303	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.048	0.169
Mycobacterium ulcerans	DNA polymerase IV	0.0102	0.1303	0.1366
Onchocerca volvulus		0.0043	0.048	0.1949
Leishmania major	DNA polymerase eta, putative	0.0032	0.0316	0.0036
Trypanosoma cruzi	DNA polymerase eta, putative	0.0102	0.1303	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.048	0.048
Mycobacterium leprae	PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC	0.0293	0.3969	1
Brugia malayi	beta-lactamase family protein	0.0043	0.048	0.0637
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.048	0.048
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0313	0.0381
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.048	0.048
Mycobacterium tuberculosis	Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic	0.0293	0.3969	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.048	0.0637
Echinococcus granulosus	dna polymerase eta	0.0102	0.1303	0.1303
Giardia lamblia	DINP protein human, muc B family	0.0102	0.1303	1
Trypanosoma brucei	hypothetical protein, conserved	0.0032	0.0316	0.0036
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.048	0.048
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0102	0.1303	1
Plasmodium vivax	nicotinate-nucleotide adenylyltransferase, putative	0.0293	0.3969	1
Plasmodium vivax	DNA repair protein REV1, putative	0.0032	0.0316	0.001
Loa Loa (eye worm)	hypothetical protein	0.0043	0.048	0.0637
Trypanosoma brucei	hypothetical protein, conserved	0.0032	0.0316	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0043	0.048	0.0637
Mycobacterium ulcerans	DNA polymerase IV	0.0102	0.1303	0.1366
Trypanosoma brucei	DNA polymerase kappa, putative	0.0102	0.1303	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.048	0.0637
Giardia lamblia	DNA damage repair protein	0.0032	0.0316	0.0036
Trypanosoma cruzi	hypothetical protein, conserved	0.0032	0.0316	0.0036
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0102	0.1303	0.2358
Brugia malayi	Ubiquitin-like protein SMT3	0.0032	0.0313	0.0415
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0316	0.042
Mycobacterium ulcerans	bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein	0.0293	0.3969	0.5057
Trypanosoma cruzi	hypothetical protein, conserved	0.0032	0.0316	0.0036
Trypanosoma brucei	DNA damage repair protein, putative	0.0032	0.0316	0.0036

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 2.5119 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	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: CHEMBL1516151

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 1395710