TDR Targets

Basic information

Technical information

TDR Targets ID: 161471
Name: 3-[6-(4-fluorophenyl)-3-(3-pyridin-3-yl-1,3-d ihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl) indol-1-yl]propanoic acid
MW: 511.567 | Formula: C29H22FN3O3S
H donors: 1 H acceptors: 4 LogP: 4.16 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: OC(=O)CCn1cc(c2c1cc(cc2)c1ccc(cc1)F)C(=O)c1ccn2c1CSC2c1cccnc1
InChi: 1S/C29H22FN3O3S/c30-21-6-3-18(4-7-21)19-5-8-22-24(16-32(25(22)14-19)12-10-27(34)35)28(36)23-9-13-33-26(23)17-37-29(33)20-2-1-11-31-15-20/h1-9,11,13-16,29H,10,12,17H2,(H,34,35)
InChiKey: NEKJJSVYRIAWEI-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

3-[6-(4-fluorophenyl)-3-[3-(3-pyridyl)-1,3-dihydropyrrolo[1,2-c]thiazole-7-carbonyl]indol-1-yl]propanoic acid
3-[6-(4-fluorophenyl)-3-[oxo-[3-(3-pyridyl)-1,3-dihydropyrrolo[1,2-c]thiazol-7-yl]methyl]-1-indolyl]propanoic acid
3-[6-(4-fluorophenyl)-3-[(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)carbonyl]indol-1-yl]propanoic acid
3-[6-(4-fluorophenyl)-3-[3-(3-pyridyl)-1,3-dihydropyrrolo[1,2-c]thiazole-7-carbonyl]indol-1-yl]propionic acid
3-[6-(4-fluorophenyl)-3-(3-pyridin-3-yl1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indol-1-yl]propanoic acid
3-[6-(4-fluorophenyl)-3-[3-(3-pyridyl)1,3-dihydropyrrolo[1,2-c]thiazole-7-carbonyl]indol-1-yl]propanoic acid
3-[6-(4-fluorophenyl)-3-[3-(3-pyridyl)1,3-dihydropyrrolo[1,2-c]thiazole-7-carbonyl]indol-1-yl]propionic acid

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Cavia porcellus	Platelet activating factor receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus granulosus	rhodopsin orphan GPCR	Platelet activating factor receptor	342 aa	278 aa	16.5 %
Echinococcus granulosus	neuropeptide receptor	Platelet activating factor receptor	342 aa	304 aa	23.4 %
Echinococcus granulosus	allatostatin A receptor	Platelet activating factor receptor	342 aa	334 aa	22.8 %
Echinococcus granulosus	tachykinin peptides receptor 99D	Platelet activating factor receptor	342 aa	314 aa	21.3 %
Onchocerca volvulus		Platelet activating factor receptor	342 aa	394 aa	20.3 %
Schistosoma japonicum	ko:K04134 cholinergic receptor, invertebrate, putative	Platelet activating factor receptor	342 aa	283 aa	20.5 %
Schistosoma mansoni	opsin-like receptor	Platelet activating factor receptor	342 aa	318 aa	21.7 %
Onchocerca volvulus	Cyclin-dependent kinase 20 homolog	Platelet activating factor receptor	342 aa	383 aa	23.8 %
Echinococcus multilocularis	g-protein coupled receptor	Platelet activating factor receptor	342 aa	351 aa	22.5 %
Onchocerca volvulus		Platelet activating factor receptor	342 aa	319 aa	21.6 %
Onchocerca volvulus		Platelet activating factor receptor	342 aa	321 aa	19.6 %
Onchocerca volvulus		Platelet activating factor receptor	342 aa	342 aa	19.6 %
Schistosoma mansoni	peptide (allatostatin)-like receptor	Platelet activating factor receptor	342 aa	344 aa	25.6 %
Onchocerca volvulus		Platelet activating factor receptor	342 aa	320 aa	24.7 %
Schistosoma mansoni	neuropeptide receptor	Platelet activating factor receptor	342 aa	338 aa	24.9 %
Echinococcus multilocularis	neuropeptide receptor	Platelet activating factor receptor	342 aa	303 aa	23.1 %
Schistosoma mansoni	neuropeptide F-like receptor	Platelet activating factor receptor	342 aa	325 aa	22.2 %
Onchocerca volvulus		Platelet activating factor receptor	342 aa	300 aa	21.0 %
Schistosoma japonicum	ko:K04209 neuropeptide Y receptor, invertebrate, putative	Platelet activating factor receptor	342 aa	340 aa	23.8 %
Echinococcus multilocularis	rhodopsin orphan GPCR	Platelet activating factor receptor	342 aa	278 aa	16.5 %
Echinococcus multilocularis	allatostatin A receptor	Platelet activating factor receptor	342 aa	334 aa	23.4 %
Onchocerca volvulus		Platelet activating factor receptor	342 aa	327 aa	21.7 %
Schistosoma mansoni	neuropeptide receptor	Platelet activating factor receptor	342 aa	292 aa	20.5 %
Echinococcus granulosus	g-protein coupled receptor	Platelet activating factor receptor	342 aa	352 aa	22.2 %
Loa Loa (eye worm)	hypothetical protein	Platelet activating factor receptor	342 aa	355 aa	22.5 %
Onchocerca volvulus		Platelet activating factor receptor	342 aa	295 aa	21.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Plasmodium falciparum	flap endonuclease 1	0.0026	0.0315	0.0033
Echinococcus multilocularis	carboxylesterase 5A	0.0132	0.3696	0.3634
Mycobacterium ulcerans	carboxylesterase, LipT	0.0022	0.0189	0.0159
Entamoeba histolytica	hypothetical protein	0.0036	0.0635	0.0543
Brugia malayi	Flap endonuclease-1	0.0026	0.0315	0.0315
Onchocerca volvulus		0.0022	0.0189	0.0005
Brugia malayi	Carboxylesterase family protein	0.0132	0.3696	0.3696
Schistosoma mansoni	flap endonuclease-1	0.0024	0.0234	0.0138
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0022	0.0186	0.0186
Loa Loa (eye worm)	hypothetical protein	0.0132	0.3696	0.3634
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0022	0.0186	0.0186
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0022	0.0189	0.0092
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0022	0.0186	0.0089
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0635	0.0543
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0186	0.0089
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0328	1	1
Schistosoma mansoni	thyroid hormone receptor	0.0022	0.0186	0.0089
Schistosoma mansoni	coup transcription factor	0.0022	0.0186	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0186	0.0089
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0022	0.0186	0.0089
Brugia malayi	ImpB/MucB/SamB family protein	0.0045	0.0918	0.0918
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0189	0.0092
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0022	0.0186	0.0186
Schistosoma mansoni	thyroid hormone receptor	0.0022	0.0186	0.0089
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0022	0.0186	0.0089
Brugia malayi	TAR-binding protein	0.0064	0.1516	0.1516
Loa Loa (eye worm)	thymidylate synthase	0.0198	0.5831	0.579
Schistosoma mansoni	hypothetical protein	0.017	0.4934	0.4884
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0081	0.2067	0.3436
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0328	1	1
Echinococcus granulosus	acetylcholinesterase	0.0132	0.3696	0.3634
Trypanosoma brucei	DNA polymerase eta, putative	0.0045	0.0918	0.0829
Onchocerca volvulus		0.0022	0.0189	0.0005
Onchocerca volvulus		0.0198	0.5831	1
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.1516	0.1433
Trichomonas vaginalis	flap endonuclease-1, putative	0.0026	0.0315	0.0904
Loa Loa (eye worm)	flap endonuclease-1	0.0026	0.0315	0.0219
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0198	0.5831	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0022	0.0186	0.0186
Brugia malayi	Dihydrofolate reductase	0.0081	0.2067	0.2067
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0949	0.0949
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0189	0.0092
Echinococcus granulosus	dna polymerase eta	0.0045	0.0918	0.0829
Schistosoma mansoni	nuclear hormone receptor	0.0022	0.0186	0.0089
Brugia malayi	Carboxylesterase family protein	0.0022	0.0189	0.0189
Brugia malayi	Carboxylesterase family protein	0.0022	0.0189	0.0189
Brugia malayi	Carboxylesterase family protein	0.0132	0.3696	0.3696
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0186	0.0089
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0279	0.8423	0.8407
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0288	0.0192
Loa Loa (eye worm)	acetylcholinesterase 1	0.0132	0.3696	0.3634
Schistosoma mansoni	RAR-like nuclear receptor	0.0022	0.0186	0.0089
Schistosoma mansoni	retinoic acid receptor RXR	0.031	0.942	0.9415
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0022	0.0186	0.0089
Leishmania major	DNA polymerase eta, putative	0.0032	0.0489	0.0396
Onchocerca volvulus		0.0022	0.0189	0.0005
Brugia malayi	Nuclear hormone receptor-like 1	0.0022	0.0186	0.0186
Brugia malayi	dihydrofolate reductase family protein	0.0081	0.2067	0.2067
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0022	0.0186	0.0089
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.1516	0.1433
Echinococcus multilocularis	ecdysone induced protein 78C	0.0022	0.0186	0.0089
Mycobacterium tuberculosis	Hypothetical protein	0.0094	0.2499	0.4189
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0132	0.3696	0.3634
Echinococcus granulosus	BC026374 protein S09 family	0.0022	0.0189	0.0092
Brugia malayi	steroid hormone receptor	0.0022	0.0186	0.0186
Loa Loa (eye worm)	TAR-binding protein	0.0064	0.1516	0.1433
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0949	0.086
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0949	0.086
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0189	0.0092
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0328	1	1
Echinococcus multilocularis	neuroligin	0.0022	0.0189	0.0092
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0022	0.0186	0.0089
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0022	0.0186	0.0186
Brugia malayi	nuclear receptor NHR-88	0.0022	0.0186	0.0186
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0328	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0022	0.0186	0.0186
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0064	0.1516	0.1433
Brugia malayi	photoreceptor-specific nuclear receptor	0.0022	0.0186	0.0186
Echinococcus multilocularis	acetylcholinesterase	0.0132	0.3696	0.3634
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0198	0.5831	0.579
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0189	0.0092
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0949	0.086
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0022	0.0189	0.0092
Echinococcus granulosus	geminin	0.017	0.4934	0.4884
Echinococcus multilocularis	para nitrobenzyl esterase	0.0022	0.0189	0.0092
Echinococcus granulosus	flap endonuclease 1	0.0026	0.0315	0.0219
Brugia malayi	hypothetical protein	0.0094	0.2499	0.2499
Echinococcus granulosus	neuroligin	0.0022	0.0189	0.0092
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0022	0.0186	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0189	0.0092
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0279	0.8423	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0022	0.0186	0.0089
Echinococcus multilocularis	dna polymerase eta	0.0045	0.0918	0.0829
Loa Loa (eye worm)	hypothetical protein	0.0132	0.3696	0.3634
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0022	0.0186	0.0089
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0094	0.2499	0.2425
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0022	0.0186	0.0089
Echinococcus multilocularis	transcription factor Dp 1	0.019	0.5568	0.5524
Entamoeba histolytica	Flap nuclease, putative	0.0026	0.0315	0.0219
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0022	0.0189	0.0159
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.1516	0.1433
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0949	0.086
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0022	0.0186	0.0089
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0635	0.0543
Echinococcus multilocularis	thymidylate synthase	0.0198	0.5831	0.579
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0022	0.0186	0.0186
Trypanosoma cruzi	DNA polymerase eta, putative	0.0032	0.0489	0.0396
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.1516	0.1433
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0022	0.0186	0.0186
Echinococcus granulosus	dihydrofolate reductase	0.0081	0.2067	0.1989
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0032	0.0489	0.0248
Echinococcus multilocularis	acetylcholinesterase	0.0132	0.3696	0.3634
Schistosoma mansoni	DNA polymerase eta	0.0045	0.0918	0.0829
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0279	0.8423	1
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0328	1	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0186	0.0089
Loa Loa (eye worm)	steroid hormone receptor	0.0022	0.0186	0.0089
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0022	0.0186	0.0089
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0022	0.0186	0.0186
Echinococcus granulosus	tar DNA binding protein	0.0064	0.1516	0.1433
Leishmania major	DNA polymerase eta, putative	0.0045	0.0918	0.0829
Onchocerca volvulus		0.0022	0.0189	0.0005
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0022	0.0186	0.0089
Loa Loa (eye worm)	carboxylesterase	0.0022	0.0189	0.0092
Echinococcus multilocularis	dihydrofolate reductase	0.0081	0.2067	0.1989
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0186	0.0089
Toxoplasma gondii	flap structure-specific endonuclease 1, putative	0.0026	0.0315	0.0033
Mycobacterium ulcerans	thymidylate synthase	0.0198	0.5831	1
Entamoeba histolytica	hypothetical protein	0.0036	0.0635	0.0543
Brugia malayi	hypothetical protein	0.0025	0.0288	0.0288
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0328	1	1
Schistosoma mansoni	gliotactin	0.0022	0.0189	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0186	0.0089
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0097	0.0097
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0022	0.0186	0.0089
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0328	1	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0288	0.0192
Chlamydia trachomatis	dihydrofolate reductase	0.0081	0.2067	0.5
Brugia malayi	hypothetical protein	0.0036	0.0635	0.0635
Echinococcus granulosus	para nitrobenzyl esterase	0.0022	0.0189	0.0092
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.1516	0.1433
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0328	1	1
Schistosoma mansoni	hypothetical protein	0.0036	0.0635	0.0543
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0022	0.0186	0.0089
Trypanosoma cruzi	flap endonuclease-1 (FEN-1), putative	0.0026	0.0315	0.0219
Trypanosoma cruzi	DNA polymerase eta, putative	0.0045	0.0918	0.0829
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0022	0.0186	0.0089
Brugia malayi	thymidylate synthase	0.0198	0.5831	0.5831
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0022	0.0186	0.0089
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0022	0.0186	0.0089
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0198	0.5831	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0186	0.0089
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0022	0.0186	0.0089
Echinococcus granulosus	FTZ F1 alpha	0.0022	0.0186	0.0089
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0022	0.0189	0.0092
Giardia lamblia	Flap structure-specific endonuclease	0.0026	0.0315	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0635	0.0543
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0022	0.0189	0.0159
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0022	0.0186	0.0186
Loa Loa (eye worm)	carboxylesterase	0.0022	0.0189	0.0092
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0022	0.0189	0.0092
Loa Loa (eye worm)	dihydrofolate reductase	0.0081	0.2067	0.1989
Brugia malayi	Steroid receptor seven-up type 2	0.0022	0.0186	0.0186
Schistosoma mansoni	BC026374 protein (S09 family)	0.0022	0.0189	0.0092
Trichomonas vaginalis	spcc417.12 protein, putative	0.0022	0.0189	0.0381
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0022	0.0186	0.0089
Echinococcus granulosus	acetylcholinesterase	0.0132	0.3696	0.3634
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0022	0.0186	0.0089
Brugia malayi	Carboxylesterase family protein	0.0022	0.0189	0.0189
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0022	0.0189	0.0381
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0022	0.0186	0.0089
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0299	0.9045	0.9036
Plasmodium vivax	flap endonuclease 1, putative	0.0026	0.0315	0.0033
Echinococcus granulosus	thymidylate synthase	0.0198	0.5831	0.579
Echinococcus granulosus	transcription factor Dp 1	0.019	0.5568	0.5524
Entamoeba histolytica	hypothetical protein	0.0036	0.0635	0.0543
Leishmania major	flap endonuclease-1 (FEN-1), putative	0.0026	0.0315	0.0219
Brugia malayi	RNA recognition motif domain containing protein	0.0064	0.1516	0.1516
Schistosoma mansoni	hypothetical protein	0.017	0.4934	0.4884
Onchocerca volvulus		0.0022	0.0189	0.0005
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0022	0.0186	0.0186
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0189	0.0092
Loa Loa (eye worm)	RNA binding protein	0.0064	0.1516	0.1433
Trichomonas vaginalis	conserved hypothetical protein	0.0094	0.2499	1
Schistosoma mansoni	acetylcholinesterase	0.0022	0.0189	0.0092
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0022	0.0186	0.0089
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.031	0.942	0.9415
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0279	0.8423	1
Echinococcus multilocularis	tar DNA binding protein	0.0064	0.1516	0.1433
Brugia malayi	nuclear hormone receptor	0.0022	0.0186	0.0186
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0189	0.0092
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0022	0.0189	0.0092
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0022	0.0186	0.0089
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0081	0.2067	0.3436
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0949	0.086
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0279	0.8423	0.8407
Brugia malayi	Carboxylesterase family protein	0.0022	0.0189	0.0189
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0022	0.0189	0.0159
Echinococcus granulosus	ecdysone induced protein 78C	0.0022	0.0186	0.0089
Echinococcus multilocularis	flap endonuclease 1	0.0026	0.0315	0.0219
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0949	0.086
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0949	0.086
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0288	0.0192
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0022	0.0186	0.0186
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0022	0.0189	0.0092
Echinococcus multilocularis	FTZ F1 alpha	0.0022	0.0186	0.0089
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0022	0.0186	0.0186
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0949	0.086
Echinococcus granulosus	carboxylesterase 5A	0.0132	0.3696	0.3634
Brugia malayi	RNA binding protein	0.0064	0.1516	0.1516
Brugia malayi	ecdysteroid receptor	0.0022	0.0186	0.0186
Echinococcus multilocularis	geminin	0.017	0.4934	0.4884
Entamoeba histolytica	hypothetical protein	0.0036	0.0635	0.0543
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0186	0.0089
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0022	0.0186	0.0089
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0328	1	1
Brugia malayi	hypothetical protein	0.0022	0.0189	0.0189
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0022	0.0186	0.0089
Trypanosoma brucei	flap endonuclease-1 (FEN-1), putative	0.0026	0.0315	0.0219
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0022	0.0189	0.0092
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0279	0.8423	0.8407
Schistosoma mansoni	dihydrofolate reductase	0.0081	0.2067	0.1989
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0918	0.0829
Loa Loa (eye worm)	carboxylesterase	0.0132	0.3696	0.3634
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0022	0.0186	0.0089
Leishmania major	hypothetical protein, conserved	0.0025	0.0288	0.0192
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0288	0.0192

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	= 0.1 mg kg-1	In vivo activity of the compound was determined by inhibition of PAF-induced cutaneous vascular permeability in rats after intravenous administration	ChEMBL.	No reference
ED50 (functional)	= 5.1 mg kg-1	In vivo activity of the compound was determined by inhibition of PAF-induced cutaneous vascular permeability in rats after peroral administration	ChEMBL.	No reference
Ki (functional)	= 160 nM	Tested in vitro for antagonistic activity to displace [3H]-PAF from rabbit platelet membrane PAF receptors	ChEMBL.	No reference
Ki (functional)	= 160 nM	Tested in vitro for antagonistic activity to displace [3H]-PAF from rabbit platelet membrane PAF receptors	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: CHEMBL99920
PubChem: 19379103

Bibliographic References

No literature references available for this target.

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Detailed information for compound 161471