TDR Targets

Basic information

Technical information

TDR Targets ID: 74142
Name: 4-[4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]phen oxy]-N,N-dipropylbutan-1-amine
MW: 392.534 | Formula: C25H32N2O2
H donors: 0 H acceptors: 1 LogP: 6.58 Rotable bonds: 12
Rule of 5 violations (Lipinski): 1
SMILES: CCCN(CCC)CCCCOc1ccc(cc1)/C=C/c1nc2c(o1)cccc2
InChi: 1S/C25H32N2O2/c1-3-17-27(18-4-2)19-7-8-20-28-22-14-11-21(12-15-22)13-16-25-26-23-9-5-6-10-24(23)29-25/h5-6,9-16H,3-4,7-8,17-20H2,1-2H3/b16-13+
InChiKey: MBBBYKWWKTXILA-DTQAZKPQSA-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

4-[4-[(E)-2-(1,3-benzoxazol-2-yl)vinyl]phenoxy]-N,N-dipropyl-butan-1-amine
4-[4-[(E)-2-(1,3-benzoxazol-2-yl)vinyl]phenoxy]-N,N-dipropyl-1-butanamine
4-[4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]phenoxy]-N,N-dipropyl-butan-1-amine
4-[4-[(E)-2-(1,3-benzoxazol-2-yl)vinyl]phenoxy]butyl-dipropyl-amine
4-[4-[(E)-2-(1,3-benzoxazol-2-yl)vinyl]phenoxy]-N,N-dipropylbutan-1-amine

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)	hypothetical protein	0.002	0.0108	0.0108
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.0305	0.0305
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0296	0.8016	1
Loa Loa (eye worm)	hypothetical protein	0.0159	0.4088	0.4088
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0159	0.4088	0.405
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0755	0.0755
Brugia malayi	photoreceptor-specific nuclear receptor	0.0159	0.4088	0.4088
Mycobacterium ulcerans	thymidylate synthase	0.0156	0.4011	0.3946
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0159	0.4088	0.4088
Echinococcus granulosus	intermediate filament protein	0.0031	0.0412	0.035
Chlamydia trachomatis	bifunctional methylenetetrahydrofolate dehydrogenase/methenyltetrahydrofolate cyclohydrolase	0.0027	0.0303	0.0197
Loa Loa (eye worm)	hypothetical protein	0.0063	0.1326	0.1326
Brugia malayi	nuclear receptor RXR	0.0075	0.1677	0.1677
Trypanosoma cruzi	MFS transporter, putative	0.0063	0.1326	0.1327
Schistosoma mansoni	nuclear receptor	0.0075	0.1677	0.1418
Brugia malayi	hypothetical protein	0.0075	0.1677	0.1677
Onchocerca volvulus		0.0156	0.4011	0.9795
Echinococcus multilocularis	dihydrofolate reductase	0.0365	1	1
Echinococcus granulosus	Solute carrier organic anion transporter family	0.0063	0.1326	0.1271
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.0305	0.0003
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0084	0.1935	0.1935
Brugia malayi	Nuclear hormone receptor-like 1	0.0159	0.4088	0.4088
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0755	0.0755
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0084	0.1935	0.1883
Onchocerca volvulus		0.0075	0.1677	0.3627
Echinococcus granulosus	agrin	0.0043	0.0755	0.0695
Brugia malayi	hypothetical protein	0.0084	0.1935	0.1935
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1677	0.1677
Schistosoma mansoni	thyroid hormone receptor	0.0159	0.4088	0.3904
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0074	0.1659	0.1758
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0159	0.4088	0.4088
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0159	0.4088	0.4088
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0075	0.1677	0.1677
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0365	1	1
Schistosoma mansoni	agrin	0.0043	0.0755	0.0466
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0159	0.4088	0.3904
Echinococcus multilocularis	follistatin	0.0043	0.0755	0.0695
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0159	0.4088	0.405
Schistosoma mansoni	hypothetical protein	0.0194	0.5103	0.495
Onchocerca volvulus		0.0031	0.0412	0.0284
Echinococcus multilocularis	ecdysone induced protein 78C	0.0159	0.4088	0.405
Onchocerca volvulus		0.0063	0.1326	0.27
Brugia malayi	tailless protein	0.0075	0.1677	0.1677
Echinococcus granulosus	organic anion transporting polypeptide 30B	0.0063	0.1326	0.1271
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0159	0.4088	0.405
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0159	0.4088	0.405
Loa Loa (eye worm)	hypothetical protein	0.002	0.0108	0.0108
Schistosoma mansoni	nuclear hormone receptor	0.0075	0.1677	0.1418
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.0305	0.0199
Echinococcus granulosus	lamin	0.0031	0.0412	0.035
Echinococcus granulosus	follistatin	0.0043	0.0755	0.0695
Schistosoma mansoni	thyroid hormone receptor	0.0159	0.4088	0.3904
Brugia malayi	Intermediate filament tail domain containing protein	0.0031	0.0412	0.0412
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0159	0.4088	0.4088
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0159	0.4088	0.4088
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0084	0.1935	0.1684
Schistosoma mansoni	RAR-like nuclear receptor	0.0159	0.4088	0.3904
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0075	0.1677	0.1677
Schistosoma mansoni	organic anion transporter	0.0063	0.1326	0.1056
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0296	0.8016	1
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1677	0.1677
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0159	0.4088	0.4088
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0159	0.4088	0.4088
Brugia malayi	Nuclear hormone receptor-like 1	0.0084	0.1935	0.1935
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0031	0.0412	0.0412
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0075	0.1677	0.1624
Loa Loa (eye worm)	nuclear hormone receptor	0.0075	0.1677	0.1677
Loa Loa (eye worm)	hypothetical protein	0.003	0.0396	0.0396
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0159	0.4088	0.405
Schistosoma mansoni	follistatin	0.0043	0.0755	0.0466
Schistosoma mansoni	intermediate filament proteins	0.0031	0.0412	0.0113
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1677	0.1677
Schistosoma mansoni	nuclear hormone receptor	0.0075	0.1677	0.1418
Loa Loa (eye worm)	hypothetical protein	0.0063	0.1326	0.1326
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0027	0.0305	0.5
Brugia malayi	Nuclear hormone receptor E75	0.0075	0.1677	0.1677
Loa Loa (eye worm)	hypothetical protein	0.0063	0.1326	0.1326
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0159	0.4088	0.405
Echinococcus multilocularis	musashi	0.0031	0.0412	0.035
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1677	0.1677
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0159	0.4088	0.405
Brugia malayi	intermediate filament protein	0.0031	0.0412	0.0412
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0075	0.1677	0.3627
Echinococcus granulosus	FTZ F1 alpha	0.0159	0.4088	0.405
Echinococcus multilocularis	lamin dm0	0.0031	0.0412	0.035
Loa Loa (eye worm)	hypothetical protein	0.0084	0.1935	0.1935
Brugia malayi	nuclear hormone receptor family member odr-7	0.0075	0.1677	0.1677
Loa Loa (eye worm)	kazal-type serine protease inhibitor domain-containing protein	0.0043	0.0755	0.0755
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0159	0.4088	0.4088
Wolbachia endosymbiont of Brugia malayi	bifunctional 5,10-methylene-tetrahydrofolate dehydrogenase/5,10-methylene-tetrahydrofolate cyclohydrolase	0.0027	0.0303	0.5
Onchocerca volvulus	Bile acid receptor homolog	0.0159	0.4088	1
Loa Loa (eye worm)	sodium-independent organic anion transporter	0.0063	0.1326	0.1326
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0159	0.4088	0.4088
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0412	0.0412
Loa Loa (eye worm)	hypothetical protein	0.0084	0.1935	0.1935
Onchocerca volvulus	Putative organic anion transporter	0.0063	0.1326	0.27
Brugia malayi	hypothetical protein	0.0063	0.1326	0.1326
Loa Loa (eye worm)	hypothetical protein	0.0159	0.4088	0.4088
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.0305	0.0199
Mycobacterium ulcerans	hypothetical protein	0.0027	0.0305	0.0199
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.0305	0.0305
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0075	0.1677	0.1624
Schistosoma mansoni	coup transcription factor	0.0159	0.4088	0.3904
Mycobacterium ulcerans	bifunctional 5,10-methylene-tetrahydrofolate dehydrogenase/5,10-methylene-tetrahydrofolate cyclohydrolase	0.0027	0.0303	0.0197
Brugia malayi	ecdysone receptor	0.0075	0.1677	0.1677
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1677	0.1677
Toxoplasma gondii	transporter, major facilitator family protein	0.0063	0.1326	0.0787
Echinococcus granulosus	dihydrofolate reductase	0.0365	1	1
Echinococcus multilocularis	geminin	0.0194	0.5103	0.5071
Brugia malayi	nuclear hormone receptor	0.0075	0.1677	0.1677
Schistosoma mansoni	organic anion transporter	0.0063	0.1326	0.1056
Loa Loa (eye worm)	hypothetical protein	0.0159	0.4088	0.4088
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0296	0.8016	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0755	0.0755
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0084	0.1935	0.1883
Loa Loa (eye worm)	steroid hormone receptor	0.0159	0.4088	0.4088
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0159	0.4088	0.4088
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0075	0.1677	0.1677
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.0305	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0159	0.4088	0.4088
Echinococcus granulosus	geminin	0.0194	0.5103	0.5071
Echinococcus granulosus	nuclear receptor nhr 48	0.0075	0.1677	0.1624
Loa Loa (eye worm)	intermediate filament protein	0.0031	0.0412	0.0412
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0159	0.4088	0.4088
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.0043	0.0755	0.0755
Brugia malayi	Dihydrofolate reductase	0.0365	1	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0305	0.0305
Brugia malayi	steroid hormone receptor	0.0159	0.4088	0.4088
Loa Loa (eye worm)	hypothetical protein	0.0159	0.4088	0.4088
Echinococcus multilocularis	FTZ F1 alpha	0.0159	0.4088	0.405
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0156	0.4011	0.3965
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.0305	0.0199
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0027	0.0305	0.0199
Loa Loa (eye worm)	DR-78	0.0075	0.1677	0.1677
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0159	0.4088	0.4088
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0159	0.4088	0.405
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0027	0.0305	0.0199
Echinococcus granulosus	thyroid hormone receptor alpha	0.0075	0.1677	0.1624
Mycobacterium tuberculosis	Hypothetical protein	0.0074	0.1659	0.1595
Brugia malayi	nuclear receptor NHR-88	0.0159	0.4088	0.4088
Loa Loa (eye worm)	hypothetical protein	0.0063	0.1326	0.1326
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0159	0.4088	0.405
Brugia malayi	conserved hypotetical protein	0.0075	0.1677	0.1677
Onchocerca volvulus	Protein ultraspiracle homolog	0.0159	0.4088	1
Loa Loa (eye worm)	hypothetical protein	0.0084	0.1935	0.1935
Schistosoma mansoni	nuclear receptor	0.0075	0.1677	0.1418
Loa Loa (eye worm)	hypothetical protein	0.0063	0.1326	0.1326
Treponema pallidum	methylenetetrahydrofolate dehydrogenase (folD)	0.0027	0.0303	0.5
Echinococcus granulosus	ecdysone induced protein 78C	0.0159	0.4088	0.405
Entamoeba histolytica	acyl-coA synthetase, putative	0.0027	0.0305	0.5
Onchocerca volvulus		0.0075	0.1677	0.3627
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0159	0.4088	0.3904
Echinococcus multilocularis	agrin	0.0043	0.0755	0.0695
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0156	0.4011	0.3824
Loa Loa (eye worm)	agrin synaptic family protein	0.0043	0.0755	0.0755
Schistosoma mansoni	zinc finger protein	0.0075	0.1677	0.1418
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0159	0.4088	0.405
Brugia malayi	nuclear receptor NHR-67	0.0075	0.1677	0.1677
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0159	0.4088	0.3904
Loa Loa (eye worm)	hypothetical protein	0.002	0.0108	0.0108
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0159	0.4088	0.4088
Schistosoma mansoni	dihydrofolate reductase	0.0365	1	1
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0075	0.1677	0.1624
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0755	0.0755
Echinococcus granulosus	thymidylate synthase	0.0156	0.4011	0.3972
Loa Loa (eye worm)	hypothetical protein	0.002	0.0108	0.0108
Onchocerca volvulus		0.0031	0.0412	0.0284
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0075	0.1677	0.1418
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1677	0.1677
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0296	0.8016	1
Brugia malayi	thymidylate synthase	0.0156	0.4011	0.4011
Onchocerca volvulus		0.0063	0.1326	0.27
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.0043	0.0755	0.0755
Schistosoma mansoni	retinoic acid receptor RXR	0.0159	0.4088	0.3904
Brugia malayi	secreted modular calcium-binding protein 1	0.0043	0.0755	0.0755
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0305	0.0305
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0159	0.4088	0.4088
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1677	0.1677
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0075	0.1677	0.1624
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.002	0.0108	0.0032
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0159	0.4088	0.4088
Echinococcus multilocularis	expressed protein	0.0043	0.0755	0.0695
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0159	0.4088	0.405
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0159	0.4088	0.4088
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0365	1	1
Onchocerca volvulus	Putative organic anion transporter	0.0063	0.1326	0.27
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0027	0.0305	0.0231
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0159	0.4088	1
Brugia malayi	orphan nuclear receptor NR2E1	0.0075	0.1677	0.1677
Brugia malayi	hypothetical protein	0.0084	0.1935	0.1935
Loa Loa (eye worm)	hypothetical protein	0.0159	0.4088	0.4088
Brugia malayi	hypothetical protein	0.0074	0.1659	0.1659
Brugia malayi	SPARC precursor	0.0043	0.0755	0.0755
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0027	0.0305	0.0199
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0027	0.0305	0.0199
Echinococcus multilocularis	organic anion transporting polypeptide 30B	0.0063	0.1326	0.1271
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0159	0.4088	0.3904
Onchocerca volvulus		0.0063	0.1326	0.27
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1677	0.1677
Brugia malayi	nuclear hormone receptor	0.0159	0.4088	0.4088
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0159	0.4088	0.405
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0305	0.0305
Brugia malayi	Nuclear hormone receptor-like 1	0.0084	0.1935	0.1935
Brugia malayi	Nuclear hormone receptor E75	0.0075	0.1677	0.1677
Echinococcus multilocularis	lamin	0.0031	0.0412	0.035
Onchocerca volvulus		0.0043	0.0755	0.1189
Loa Loa (eye worm)	hypothetical protein	0.0159	0.4088	0.4088
Brugia malayi	hypothetical protein	0.0075	0.1677	0.1677
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1677	0.1677
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0084	0.1935	0.1684
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0159	0.4088	0.3904
Brugia malayi	sodium-independent organic anion transporter family protein	0.0063	0.1326	0.1326
Echinococcus granulosus	lamin dm0	0.0031	0.0412	0.035
Loa Loa (eye worm)	hypothetical protein	0.0063	0.1326	0.1326
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0365	1	1
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0075	0.1677	0.3627
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.0305	0.0003
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0027	0.0305	0.0231
Schistosoma mansoni	hypothetical protein	0.0194	0.5103	0.495
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1677	0.1677
Loa Loa (eye worm)	hypothetical protein	0.0084	0.1935	0.1935
Brugia malayi	sodium-independent organic anion transporter family protein	0.0063	0.1326	0.1326
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0027	0.0305	0.5
Echinococcus multilocularis	nuclear receptor nhr 48	0.0075	0.1677	0.1624
Echinococcus multilocularis	Solute carrier organic anion transporter family	0.0063	0.1326	0.1271
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0296	0.8016	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0159	0.4088	0.3904
Loa Loa (eye worm)	hypothetical protein	0.0063	0.1326	0.1326
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0159	0.4088	0.4088
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.0043	0.0755	0.0755
Chlamydia trachomatis	dihydrofolate reductase	0.0365	1	1
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0075	0.1677	0.1624
Brugia malayi	sodium-independent organic anion transporter family protein	0.0063	0.1326	0.1326
Schistosoma mansoni	lamin	0.0031	0.0412	0.0113
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0159	0.4088	0.3904
Schistosoma mansoni	nuclear receptor nhr-48	0.0075	0.1677	0.1418
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0159	0.4088	0.4088
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0296	0.8016	1
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0075	0.1677	0.1677
Brugia malayi	prostaglandin transporter	0.0063	0.1326	0.1326
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0159	0.4088	0.4088
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0075	0.1677	0.1418
Brugia malayi	nuclear receptor NHR-88	0.0075	0.1677	0.1677
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.0305	0.0305
Echinococcus multilocularis	thymidylate synthase	0.0156	0.4011	0.3972
Loa Loa (eye worm)	thymidylate synthase	0.0156	0.4011	0.4011
Brugia malayi	nuclear receptor RXR	0.0084	0.1935	0.1935
Onchocerca volvulus		0.0159	0.4088	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0159	0.4088	0.4088
Loa Loa (eye worm)	hypothetical protein	0.002	0.0108	0.0108
Brugia malayi	ecdysteroid receptor	0.0159	0.4088	0.4088
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1677	0.1677
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0075	0.1677	0.1624
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0075	0.1677	0.1624
Brugia malayi	Steroid receptor seven-up type 2	0.0159	0.4088	0.4088
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.0043	0.0755	0.0755
Loa Loa (eye worm)	hypothetical protein	0.0084	0.1935	0.1935
Schistosoma mansoni	lamin	0.0031	0.0412	0.0113
Loa Loa (eye worm)	hypothetical protein	0.0159	0.4088	0.4088
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1677	0.1677
Schistosoma mansoni	nuclear hormone receptor	0.0159	0.4088	0.3904
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0159	0.4088	0.405
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0156	0.4011	0.3822
Loa Loa (eye worm)	dihydrofolate reductase	0.0365	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0074	0.1659	0.5
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0075	0.1677	0.1624
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0159	0.4088	0.405
Onchocerca volvulus		0.0063	0.1326	0.27
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0075	0.1677	0.1624
Onchocerca volvulus	Putative organic anion transporter	0.0063	0.1326	0.27
Brugia malayi	hypothetical protein	0.0063	0.1326	0.1326
Onchocerca volvulus		0.0063	0.1326	0.27
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1677	0.1677

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	= 11.5 mg kg-1	Effective dose required for the inhibition of total acid secretion in pylorus-ligated rats	ChEMBL.	2842503
IC50 (functional)	= 0.11 uM	Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by dibutyryl cyclic adenosine 3', 5' -monophosphate (dcAMP)	ChEMBL.	2842503
IC50 (functional)	= 0.39 uM	Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamine	ChEMBL.	2842503
Inhibition (functional)	= 90 %	Percent inhibition of total acid secretion in pylorus-ligated rats at an id dose of 20 mg/kg	ChEMBL.	2842503
Inhibition (binding)	= 21 uM	Evaluated for the inhibition of H+/K+ ATPase enzyme from fundic mucosa of white rabbits	ChEMBL.	2842503

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.

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External resources for this compound

PubChem: 10271847

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 74142