TDR Targets

Basic information

Technical information

TDR Targets ID: 781592
Name: 3-(4-fluorophenyl)-3-(thiophene-2-carbonylami no)propanoic acid
MW: 293.313 | Formula: C14H12FNO3S
H donors: 2 H acceptors: 3 LogP: 2.34 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)CC(c1ccc(cc1)F)NC(=O)c1cccs1
InChi: 1S/C14H12FNO3S/c15-10-5-3-9(4-6-10)11(8-13(17)18)16-14(19)12-2-1-7-20-12/h1-7,11H,8H2,(H,16,19)(H,17,18)
InChiKey: IAYQXFNNVAFOMS-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

3-(4-fluorophenyl)-3-[[oxo-(2-thienyl)methyl]amino]propanoic acid
3-(4-fluorophenyl)-3-(thiophene-2-carbonylamino)propionic acid
3-(4-fluorophenyl)-3-(thiophen-2-ylcarbonylamino)propanoic acid
A3906/0166105

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
Brugia malayi	Carboxylesterase family protein	0.0053	0.1234	0.1234
Brugia malayi	Carboxylesterase family protein	0.0053	0.1234	0.1234
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0053	0.1234	0.5
Toxoplasma gondii	HEAT repeat-containing protein	0.0028	0.0413	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0413	0.0258
Echinococcus multilocularis	neuroligin	0.0053	0.1234	0.1092
Loa Loa (eye worm)	carboxylesterase	0.0053	0.1234	0.1092
Onchocerca volvulus		0.0053	0.1234	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0091	0.2519	0.2398
Echinococcus multilocularis	acetylcholinesterase	0.0312	1	1
Onchocerca volvulus		0.0053	0.1234	0.5
Echinococcus granulosus	acetylcholinesterase	0.0312	1	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1234	0.1092
Brugia malayi	RNA, U transporter 1	0.0081	0.2186	0.2186
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0413	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0091	0.2519	0.2398
Onchocerca volvulus		0.0053	0.1234	0.5
Brugia malayi	hypothetical protein	0.0053	0.1234	0.1234
Entamoeba histolytica	hypothetical protein	0.0036	0.0664	1
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0301	0.5594
Schistosoma mansoni	gliotactin	0.0053	0.1234	0.1092
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0664	0.0513
Brugia malayi	hypothetical protein	0.0036	0.0664	0.0664
Schistosoma mansoni	hypothetical protein	0.0036	0.0664	0.0513
Echinococcus multilocularis	carboxylesterase 5A	0.0312	1	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0312	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0091	0.2519	0.2398
Plasmodium vivax	importin-beta 2, putative	0.0028	0.0413	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1234	0.1092
Schistosoma mansoni	hypothetical protein	0.0304	0.9716	0.9711
Echinococcus multilocularis	snurportin 1	0.0304	0.9716	0.9711
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0304	0.9716	0.9711
Loa Loa (eye worm)	hypothetical protein	0.0312	1	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0053	0.1234	0.1092
Entamoeba histolytica	hypothetical protein	0.0036	0.0664	1
Brugia malayi	Carboxylesterase family protein	0.0312	1	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1234	0.1092
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0301	0.0144
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0301	0.5594
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0053	0.1234	0.1092
Schistosoma mansoni	BC026374 protein (S09 family)	0.0053	0.1234	0.1092
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0091	0.2519	0.2398
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0091	0.2519	0.2398
Brugia malayi	Carboxylesterase family protein	0.0053	0.1234	0.1234
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0091	0.2519	0.2519
Echinococcus multilocularis	acetylcholinesterase	0.0312	1	1
Entamoeba histolytica	hypothetical protein	0.0036	0.0664	1
Onchocerca volvulus		0.0053	0.1234	0.5
Echinococcus granulosus	acetylcholinesterase	0.0312	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0091	0.2519	0.2398
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0301	1
Echinococcus granulosus	para nitrobenzyl esterase	0.0053	0.1234	0.1092
Plasmodium falciparum	importin beta, putative	0.0028	0.0413	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0231	0.067
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0053	0.1234	0.5
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0301	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0053	0.1234	0.1092
Echinococcus granulosus	snurportin 1	0.0304	0.9716	0.9711
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0231	0.5071
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0053	0.1234	0.5
Leishmania major	hypothetical protein, conserved	0.0025	0.0301	1
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0053	0.1234	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1234	0.1092
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0021	0.0159	0.5
Brugia malayi	Importin beta-1 subunit	0.0028	0.0413	0.0413
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0091	0.2519	0.2398
Entamoeba histolytica	hypothetical protein	0.0023	0.0231	0.1426
Echinococcus granulosus	carboxylesterase 5A	0.0312	1	1
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0021	0.0159	0.0159
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0413	1
Onchocerca volvulus		0.0053	0.1234	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0091	0.2519	0.2398
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0053	0.1234	0.1092
Mycobacterium ulcerans	carboxylesterase, LipT	0.0053	0.1234	0.5
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0053	0.1234	0.1092
Echinococcus multilocularis	para nitrobenzyl esterase	0.0053	0.1234	0.1092
Schistosoma mansoni	importin beta-1	0.0028	0.0413	0.0258
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0301	0.5594
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1234	0.1092
Loa Loa (eye worm)	carboxylesterase	0.0312	1	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1234	0.1092
Loa Loa (eye worm)	hypothetical protein	0.0312	1	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1234	0.1092
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0301	0.5594
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0231	0.067
Echinococcus granulosus	importin subunit beta 1	0.0028	0.0413	0.0258
Echinococcus multilocularis	importin subunit beta 1	0.0028	0.0413	0.0258
Loa Loa (eye worm)	carboxylesterase	0.0053	0.1234	0.1092
Entamoeba histolytica	hypothetical protein	0.0036	0.0664	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0664	0.0513
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0301	0.5594
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0231	0.5071
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0231	0.067
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0053	0.1234	0.1092
Echinococcus granulosus	BC026374 protein S09 family	0.0053	0.1234	0.1092
Brugia malayi	Carboxylesterase family protein	0.0053	0.1234	0.1234
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0053	0.1234	0.1092
Schistosoma mansoni	acetylcholinesterase	0.0053	0.1234	0.1092
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0664	0.0513
Brugia malayi	hypothetical protein	0.0025	0.0301	0.0301
Loa Loa (eye worm)	acetylcholinesterase 1	0.0312	1	1
Trichomonas vaginalis	spcc417.12 protein, putative	0.0053	0.1234	1
Echinococcus granulosus	neuroligin	0.0053	0.1234	0.1092

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

Search by Saint Jude

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 781592