TDR Targets

Basic information

Technical information

TDR Targets ID: 1251355
Name: N-(3-methoxyphenyl)-2-[(2-phenyl-[1,2,4]triaz olo[1,5-c]quinazolin-5-yl)sulfanyl]butanamide
MW: 469.558 | Formula: C26H23N5O2S
H donors: 1 H acceptors: 4 LogP: 5.74 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCC(C(=O)Nc1cccc(c1)OC)Sc1nc2ccccc2c2n1nc(n2)c1ccccc1
InChi: 1S/C26H23N5O2S/c1-3-22(25(32)27-18-12-9-13-19(16-18)33-2)34-26-28-21-15-8-7-14-20(21)24-29-23(30-31(24)26)17-10-5-4-6-11-17/h4-16,22H,3H2,1-2H3,(H,27,32)
InChiKey: TYTCOPQPDHNEBX-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-methoxyphenyl)-2-[(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)thio]butanamide
N-(3-methoxyphenyl)-2-[(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)thio]butyramide
NCGC00138689-01
K280-0443

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ataxin 2	Starlite/ChEMBL	No references
Homo sapiens	vitamin D (1,25- dihydroxyvitamin D3) receptor	Starlite/ChEMBL	No references
Homo sapiens	lamin A/C	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	intermediate filament proteins	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Intermediate filament protein ifa-1, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	musashi	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	ko:K07611 lamin, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	Intermediate filament tail domain containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Lamin-C, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	steroid hormone receptor	vitamin D (1,25- dihydroxyvitamin D3) receptor	427 aa	416 aa	24.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0041	0.3485	0.1501
Trypanosoma brucei	DNA polymerase kappa, putative	0.0041	0.3485	0.3297
Loa Loa (eye worm)	Pin1-type peptidyl-prolyl cis-trans isomerase	0.0037	0.2954	0.2954
Leishmania major	DNA polymerase eta, putative	0.0067	0.6961	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.4218	0.4032
Loa Loa (eye worm)	hypothetical protein	0.009	1	1
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0041	0.3485	0.4949
Echinococcus multilocularis	lamin dm0	0.0033	0.2335	0.3277
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0041	0.3485	0.2922
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0041	0.3485	0.5
Loa Loa (eye worm)	hypothetical protein	0.003	0.205	0.205
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.205	0.5
Trypanosoma brucei	PAB1-binding protein , putative	0.003	0.205	0.053
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0041	0.3485	0.2922
Trypanosoma brucei	DNA polymerase kappa, putative	0.0041	0.3485	0.3297
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0041	0.3485	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.4218	0.6013
Trypanosoma brucei	DNA polymerase kappa, putative	0.0041	0.3485	0.3297
Loa Loa (eye worm)	hypothetical protein	0.0067	0.6961	0.6961
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0041	0.3485	0.1501
Leishmania major	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	0.0036	0.2837	0.1601
Trypanosoma brucei	DNA polymerase IV, putative	0.0041	0.3485	0.3297
Echinococcus granulosus	lamin	0.0033	0.2335	0.3277
Trypanosoma brucei	DNA polymerase eta, putative	0.0067	0.6961	1
Leishmania major	DNA polymerase eta, putative	0.0039	0.3162	0.2263
Trypanosoma brucei	unspecified product	0.0041	0.3485	0.3297
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.205	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.4218	0.2456
Brugia malayi	intermediate filament protein	0.0033	0.2335	0.2089
Brugia malayi	hypothetical protein	0.003	0.205	0.1795
Schistosoma mansoni	DNA polymerase eta	0.0067	0.6961	0.6036
Trypanosoma brucei	DNA polymerase kappa, putative	0.0041	0.3485	0.3297
Echinococcus multilocularis	expressed protein	0.0037	0.2954	0.4177
Trypanosoma brucei	DNA polymerase IV, putative	0.0041	0.3485	0.3297
Echinococcus multilocularis	musashi	0.0033	0.2335	0.3277
Schistosoma mansoni	rotamase	0.0037	0.2954	0.0807
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase/rotamase, putative	0.0036	0.2837	0.2046
Trichomonas vaginalis	rotamase, putative	0.0037	0.2954	0.1807
Mycobacterium ulcerans	DNA polymerase IV	0.0041	0.3485	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.4218	0.6013
Echinococcus granulosus	dna polymerase eta	0.0067	0.6961	1
Echinococcus granulosus	dna polymerase kappa	0.0041	0.3485	0.4949
Schistosoma mansoni	eyes absent homolog	0.009	1	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0041	0.3485	0.3276
Trypanosoma brucei	DNA polymerase kappa, putative	0.0041	0.3485	0.3297
Onchocerca volvulus		0.0033	0.2335	0.5
Brugia malayi	ImpB/MucB/SamB family protein	0.0067	0.6961	0.6864
Plasmodium vivax	ataxin-2 like protein, putative	0.003	0.205	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0041	0.3485	0.3297
Mycobacterium ulcerans	DNA polymerase IV	0.0041	0.3485	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.4218	0.2456
Trypanosoma brucei	DNA polymerase kappa, putative	0.0041	0.3485	0.3297
Echinococcus granulosus	intermediate filament protein	0.0033	0.2335	0.3277
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0041	0.3485	0.4949
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0033	0.2335	0.2335
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0041	0.3485	0.3485
Loa Loa (eye worm)	hypothetical protein	0.0032	0.2255	0.2255
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.4218	0.6013
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0017	0.0311	0.0311
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0039	0.3162	1
Giardia lamblia	DINP protein human, muc B family	0.0041	0.3485	0.5
Trypanosoma cruzi	DNA polymerase eta, putative	0.0039	0.3162	0.2263
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.4218	0.6013
Loa Loa (eye worm)	hypothetical protein	0.0016	0.008	0.008
Brugia malayi	hypothetical protein	0.002	0.0606	0.0305
Toxoplasma gondii	peptidylprolyl isomerase	0.0036	0.2837	0.7074
Echinococcus granulosus	lamin dm0	0.0033	0.2335	0.3277
Trypanosoma brucei	DNA polymerase kappa, putative	0.0041	0.3485	0.3297
Echinococcus multilocularis	dna polymerase eta	0.0067	0.6961	1
Trichomonas vaginalis	DNA polymerase eta, putative	0.0041	0.3485	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0033	0.2335	0.2089
Echinococcus multilocularis	lamin	0.0033	0.2335	0.3277
Trypanosoma brucei	DNA polymerase kappa, putative	0.0041	0.3485	0.3297
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0041	0.3485	0.2922
Leishmania major	DNA polymerase kappa, putative	0.0041	0.3485	0.2922
Trypanosoma cruzi	DNA polymerase eta, putative	0.0067	0.6961	1
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.2954	0.1807
Loa Loa (eye worm)	hypothetical protein	0.009	1	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0041	0.3485	0.2922
Loa Loa (eye worm)	intermediate filament protein	0.0033	0.2335	0.2335
Echinococcus granulosus	expressed protein	0.0037	0.2954	0.4177
Onchocerca volvulus		0.0033	0.2335	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.4218	0.2456
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0036	0.2837	0.1601
Loa Loa (eye worm)	hypothetical protein	0.0033	0.2335	0.2335
Echinococcus multilocularis	dna polymerase kappa	0.0041	0.3485	0.4949
Trypanosoma brucei	DNA polymerase IV, putative	0.0041	0.3485	0.3297
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0036	0.2837	0.1601
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.4218	0.4218
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0041	0.3485	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0041	0.3485	0.3297
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0041	0.3485	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0041	0.3485	0.2922
Brugia malayi	Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1	0.0037	0.2954	0.2728

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.1585 um	PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	0.3548 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	1.2589 uM	PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855]	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	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: CHEMBL1326969

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 1251355