TDR Targets

Basic information

Technical information

TDR Targets ID: 1517092
Name: 1-[5-[3-(5-fluoro-2-methoxybenzoyl)piperidine -1-carbonyl]thiophen-2-yl]ethanone
MW: 389.441 | Formula: C20H20FNO4S
H donors: 0 H acceptors: 3 LogP: 3.32 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1C(=O)C1CCCN(C1)C(=O)c1ccc(s1)C(=O)C)F
InChi: 1S/C20H20FNO4S/c1-12(23)17-7-8-18(27-17)20(25)22-9-3-4-13(11-22)19(24)15-10-14(21)5-6-16(15)26-2/h5-8,10,13H,3-4,9,11H2,1-2H3
InChiKey: TWVPYYJAQJLNIS-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

1-[5-[3-(5-fluoro-2-methoxy-benzoyl)piperidine-1-carbonyl]-2-thienyl]ethanone
1-[5-[[3-[(5-fluoro-2-methoxyphenyl)-oxomethyl]-1-piperidinyl]-oxomethyl]-2-thienyl]ethanone
1-[5-[3-(5-fluoro-2-methoxy-phenyl)carbonylpiperidin-1-yl]carbonylthiophen-2-yl]ethanone

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Mycobacterium tuberculosis	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Candida albicans	second version of adenosylmethionine-8-amino-7-oxononanoate aminotransferase	Get druggable targets OG5_128068	All targets in OG5_128068
Mycobacterium tuberculosis	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA	Get druggable targets OG5_128068	All targets in OG5_128068
Candida albicans	second version of adenosylmethionine-8-amino-7-oxononanoate aminotransferase	Get druggable targets OG5_128068	All targets in OG5_128068
Mycobacterium ulcerans	hypothetical protein	Get druggable targets OG5_128068	All targets in OG5_128068
Mycobacterium leprae	PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA	Get druggable targets OG5_128068	All targets in OG5_128068
Mycobacterium ulcerans	adenosylmethionine-8-amino-7-oxononanoate aminotransferase	Get druggable targets OG5_128068	All targets in OG5_128068
Trichomonas vaginalis	acetylornithine aminotransferase, putative	Get druggable targets OG5_128068	All targets in OG5_128068
Candida albicans	adenosylmethionine-8-amino-7-oxononanoate aminotransferase similar to that found in bacteria	Get druggable targets OG5_128068	All targets in OG5_128068
Mycobacterium tuberculosis	Probable aminotransferase	Get druggable targets OG5_128068	All targets in OG5_128068
Candida albicans	adenosylmethionine-8-amino-7-oxononanoate aminotransferase similar to that found in bacteria	Get druggable targets OG5_128068	All targets in OG5_128068

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium leprae	Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA	437 aa	397 aa	28.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0014	0.0327	0.0349
Brugia malayi	hypothetical protein	0.0014	0.0327	0.0176
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.001	0.0154	0.0177
Trichomonas vaginalis	ABC transporter, putative	0.001	0.0154	0.0177
Echinococcus granulosus	g protein coupled receptor	0.0014	0.0327	0.0349
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0014	0.0327	0.0349
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.001	0.0154	0.0177
Trichomonas vaginalis	spcc417.12 protein, putative	0.0033	0.1288	0.1489
Brugia malayi	neuropeptide F receptor	0.0014	0.0327	0.0176
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0014	0.0327	0.0188
Onchocerca volvulus		0.0014	0.0327	0.0176
Loa Loa (eye worm)	hypothetical protein	0.0033	0.1288	0.1158
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.001	0.0154	0.0177
Brugia malayi	Carboxylesterase family protein	0.0198	0.9372	0.9362
Loa Loa (eye worm)	hypothetical protein	0.001	0.0154	0.0006
Brugia malayi	hypothetical protein	0.0014	0.0327	0.0176
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0014	0.0327	0.0188
Brugia malayi	Dopamine receptor protein 1	0.0014	0.0327	0.0176
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0033	0.1288	0.1375
Schistosoma mansoni	hypothetical protein	0.0014	0.0327	0.0188
Brugia malayi	Carboxylesterase family protein	0.0033	0.1288	0.1153
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0327	0.0181
Echinococcus multilocularis	para nitrobenzyl esterase	0.0033	0.1288	0.1375
Echinococcus granulosus	rhodopsin orphan GPCR	0.0014	0.0327	0.0349
Echinococcus granulosus	carboxylesterase 5A	0.0198	0.9372	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0327	0.0181
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0014	0.0327	0.0349
Echinococcus multilocularis	ornithine aminotransferase	0.0026	0.0926	0.0988
Plasmodium vivax	ornithine aminotransferase, putative	0.0026	0.0926	1
Loa Loa (eye worm)	neuropeptide F receptor	0.0014	0.0327	0.0181
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.001	0.0148	0.0158
Trichomonas vaginalis	ABC transporter, putative	0.001	0.0154	0.0177
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0327	0.0181
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.001	0.0154	0.0177
Echinococcus granulosus	acetylcholinesterase	0.0198	0.9372	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0014	0.0327	0.0349
Onchocerca volvulus		0.0014	0.0327	0.0176
Brugia malayi	Melatonin receptor type 1A	0.0014	0.0327	0.0176
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0327	0.0181
Schistosoma mansoni	amine GPCR	0.0014	0.0327	0.0188
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.001	0.0154	0.0006
Echinococcus granulosus	rhodopsin orphan GPCR	0.0014	0.0327	0.0349
Brugia malayi	neuropeptide F receptor	0.0014	0.0327	0.0176
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0014	0.0327	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0327	0.0181
Echinococcus granulosus	neuropeptide receptor	0.0014	0.0327	0.0349
Mycobacterium leprae	PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA	0.0184	0.8652	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0014	0.0327	0.0349
Echinococcus multilocularis	g protein coupled receptor	0.0014	0.0327	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0327	0.0181
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0327	0.0181
Echinococcus granulosus	biogenic amine 5HT receptor	0.0014	0.0327	0.0349
Onchocerca volvulus		0.0014	0.0327	0.0176
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.001	0.0154	0.0164
Mycobacterium tuberculosis	Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at)	0.0026	0.0926	0.0908
Loa Loa (eye worm)	hypothetical protein	0.0198	0.9372	0.9362
Brugia malayi	G-protein coupled receptor	0.0014	0.0327	0.0176
Onchocerca volvulus		0.0014	0.0327	0.0176
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.001	0.0154	0.0177
Onchocerca volvulus		0.0033	0.1288	0.1153
Schistosoma mansoni	biogenic amine receptor	0.0014	0.0327	0.0188
Mycobacterium tuberculosis	Probable acetylornithine aminotransferase ArgD	0.0026	0.0926	0.0908
Echinococcus multilocularis	multidrug resistance protein 1	0.001	0.0154	0.0164
Echinococcus multilocularis	Aminotransferase class III	0.0026	0.0926	0.0988
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0014	0.0327	0.0188
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0033	0.1288	0.1231
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0327	0.0181
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0014	0.0327	0.0181
Echinococcus multilocularis	g-protein coupled receptor	0.0014	0.0327	0.0349
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0014	0.0327	0.0188
Brugia malayi	hypothetical protein	0.0014	0.0327	0.0176
Schistosoma mansoni	amine GPCR	0.0014	0.0327	0.0188
Loa Loa (eye worm)	hypothetical protein	0.0198	0.9372	0.9362
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0014	0.0327	0.0176
Entamoeba histolytica	P-glyco protein 6, putative	0.001	0.0154	0.5
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.001	0.0154	0.0177
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0327	0.0181
Echinococcus granulosus	neuropeptide receptor A26	0.0014	0.0327	0.0349
Echinococcus multilocularis	neuropeptide Y receptor	0.0014	0.0327	0.0349
Onchocerca volvulus		0.0033	0.1288	0.1153
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0033	0.1288	0.1231
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0327	0.0181
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.001	0.0154	0.0177
Brugia malayi	Carboxylesterase family protein	0.0033	0.1288	0.1153
Brugia malayi	ORL1-like opioid receptor	0.0014	0.0327	0.0176
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0014	0.0327	0.0188
Echinococcus multilocularis	multidrug resistance protein 1	0.001	0.0154	0.0164
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.001	0.0154	0.0164
Trichomonas vaginalis	ABC transporter, putative	0.001	0.0154	0.0177
Brugia malayi	Carboxylesterase family protein	0.0033	0.1288	0.1153
Mycobacterium tuberculosis	Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase)	0.0026	0.0926	0.0908
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.001	0.0154	0.0177
Schistosoma mansoni	neuropeptide F-like receptor	0.0014	0.0327	0.0188
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0033	0.1288	0.1335
Loa Loa (eye worm)	melatonin receptor type 1A	0.0014	0.0327	0.0181
Brugia malayi	hypothetical protein	0.0014	0.0327	0.0176
Loa Loa (eye worm)	G-protein coupled receptor	0.0014	0.0327	0.0181
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0014	0.0327	0.0188
Echinococcus multilocularis	neuropeptide s receptor	0.0014	0.0327	0.0349
Onchocerca volvulus		0.0014	0.0327	0.0176
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0033	0.1288	0.1231
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0198	0.9372	1
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0014	0.0327	0.0349
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0014	0.0327	0.0188
Loa Loa (eye worm)	neuropeptide F receptor	0.0014	0.0327	0.0181
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0327	0.0181
Schistosoma mansoni	neuropeptide receptor	0.0014	0.0327	0.0188
Schistosoma mansoni	gliotactin	0.0033	0.1288	0.1231
Entamoeba histolytica	P-glycoprotein-2, putative	0.001	0.0154	0.5
Entamoeba histolytica	P-glycoprotein 5, putative	0.001	0.0154	0.5
Echinococcus granulosus	ornithine aminotransferase	0.0026	0.0926	0.0988
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0033	0.1288	0.1335
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0033	0.1288	0.1375
Brugia malayi	Serotonin receptor	0.0014	0.0327	0.0176
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0014	0.0327	0.0349
Echinococcus multilocularis	neuropeptide receptor	0.0014	0.0327	0.0349
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.001	0.0154	0.0177
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0327	0.0181
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0327	0.0181
Loa Loa (eye worm)	hypothetical protein	0.0033	0.1288	0.1158
Mycobacterium ulcerans	hypothetical protein	0.0184	0.8652	1
Echinococcus granulosus	multidrug resistance protein 1	0.001	0.0154	0.0164
Brugia malayi	Dopamine receptor	0.0014	0.0327	0.0176
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0014	0.0327	0.0188
Echinococcus granulosus	acetylcholinesterase	0.0198	0.9372	1
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0014	0.0327	0.0188
Echinococcus multilocularis	neuropeptides capa receptor	0.0014	0.0327	0.0349
Brugia malayi	G protein-coupled receptor	0.0014	0.0327	0.0176
Loa Loa (eye worm)	TYRA-2 protein	0.0014	0.0327	0.0181
Toxoplasma gondii	ornithine aminotransferase, mitochondrial precursor, putative	0.0026	0.0926	1
Loa Loa (eye worm)	carboxylesterase	0.0198	0.9372	0.9362
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0014	0.0327	0.0349
Trichomonas vaginalis	abcb9, putative	0.001	0.0154	0.0177
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0327	0.0181
Schistosoma mansoni	hypothetical protein	0.0014	0.0327	0.0188
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0014	0.0327	0.0349
Echinococcus granulosus	g-protein coupled receptor	0.0014	0.0327	0.0349
Wolbachia endosymbiont of Brugia malayi	acetylornithine transaminase protein	0.0026	0.0926	0.5
Trichomonas vaginalis	ABC transporter, putative	0.001	0.0154	0.0177
Schistosoma mansoni	adenoreceptor	0.0014	0.0327	0.0188
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.001	0.0154	0.0177
Schistosoma mansoni	BC026374 protein (S09 family)	0.0033	0.1288	0.1231
Echinococcus multilocularis	neuropeptides capa receptor	0.0014	0.0327	0.0349
Echinococcus multilocularis	somatostatin receptor	0.0014	0.0327	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0033	0.1288	0.1158
Echinococcus multilocularis	g protein coupled receptor	0.0014	0.0327	0.0349
Trichomonas vaginalis	taga, putative	0.001	0.0154	0.0177
Schistosoma mansoni	opsin-like receptor	0.0014	0.0327	0.0188
Echinococcus granulosus	7TM GPCR rhodopsin	0.0014	0.0327	0.0349
Schistosoma mansoni	histamine h1 receptor	0.0014	0.0327	0.0188
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0014	0.0327	0.0188
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.001	0.0154	0.0177
Brugia malayi	hypothetical protein	0.0014	0.0327	0.0176
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0327	0.0181
Echinococcus multilocularis	neuroligin	0.0033	0.1288	0.1375
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.001	0.0154	0.0177
Schistosoma mansoni	neuropeptide receptor	0.0014	0.0327	0.0188
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0014	0.0327	0.0349
Brugia malayi	G-protein coupled receptor	0.0014	0.0327	0.0176
Echinococcus granulosus	fmrfamide receptor	0.0014	0.0327	0.0349
Trichomonas vaginalis	acetylornithine aminotransferase, putative	0.0184	0.8652	1
Schistosoma mansoni	amine GPCR	0.0014	0.0327	0.0188
Echinococcus granulosus	7tm_1 domain containing protein	0.0014	0.0327	0.0349
Echinococcus multilocularis	serotonin receptor	0.0014	0.0327	0.0349
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0014	0.0327	0.0188
Mycobacterium tuberculosis	Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase)	0.0026	0.0926	0.0908
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.001	0.0154	0.0164
Trichomonas vaginalis	abcb9, putative	0.001	0.0154	0.0177
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0014	0.0327	0.0188
Loa Loa (eye worm)	multidrug resistance protein 3	0.001	0.0154	0.0006
Mycobacterium ulcerans	adenosylmethionine-8-amino-7-oxononanoate aminotransferase	0.0184	0.8652	1
Schistosoma mansoni	biogenic amine receptor	0.0014	0.0327	0.0188
Echinococcus granulosus	somatostatin receptor	0.0014	0.0327	0.0349
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0014	0.0327	0.0188
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0327	0.0181
Brugia malayi	4-aminobutyrate aminotransferase, mitochondrial precursor	0.0026	0.0926	0.0784
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0327	0.0181
Loa Loa (eye worm)	hypothetical protein	0.0033	0.1288	0.1158
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0014	0.0327	0.0188
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0033	0.1288	0.1231
Echinococcus granulosus	rhodopsin orphan GPCR	0.0014	0.0327	0.0349
Echinococcus granulosus	serotonin receptor	0.0014	0.0327	0.0349
Schistosoma mansoni	hypothetical protein	0.0014	0.0327	0.0188
Echinococcus multilocularis	fmrfamide receptor	0.0014	0.0327	0.0349
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.001	0.0154	0.0177
Entamoeba histolytica	P-glycoprotein-2	0.001	0.0154	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0014	0.0327	0.0349
Echinococcus multilocularis	acetylcholinesterase	0.0198	0.9372	1
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0014	0.0327	0.0181
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0014	0.0327	0.0188
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0327	0.0181
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0327	0.0181
Echinococcus granulosus	G protein coupled receptor 139	0.0014	0.0327	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0327	0.0181
Onchocerca volvulus		0.0014	0.0327	0.0176
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0327	0.0181
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0327	0.0181
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0014	0.0327	0.0188
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0327	0.0181
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0014	0.0327	0.0349
Echinococcus granulosus	rhodopsin orphan GPCR	0.0014	0.0327	0.0349
Echinococcus multilocularis	G protein coupled receptor 139	0.0014	0.0327	0.0349
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.001	0.0154	0.0164
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0014	0.0327	0.0188
Echinococcus granulosus	orexin receptor type 2	0.0014	0.0327	0.0349
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.001	0.0154	0.0177
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.001	0.0154	0.0177
Echinococcus multilocularis	serotonin receptor	0.0014	0.0327	0.0349
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0014	0.0327	0.0176
Brugia malayi	hypothetical protein	0.0033	0.1288	0.1153
Brugia malayi	hypothetical protein	0.0014	0.0327	0.0176
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0327	0.0181
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0014	0.0327	0.0176
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0033	0.1288	0.1489
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0014	0.0327	0.0349
Onchocerca volvulus		0.0014	0.0327	0.0176
Echinococcus granulosus	tm gpcr rhodopsin	0.0014	0.0327	0.0349
Echinococcus granulosus	sex peptide receptor	0.0014	0.0327	0.0349
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.001	0.0154	0.0177
Schistosoma mansoni	biogenic amine receptor	0.0014	0.0327	0.0188
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0327	0.0181
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0014	0.0327	0.0188
Loa Loa (eye worm)	hypothetical protein	0.0033	0.1288	0.1158
Loa Loa (eye worm)	hypothetical protein	0.0033	0.1288	0.1158
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0014	0.0327	0.0349
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0014	0.0327	0.0349
Schistosoma mansoni	opsin-like receptor	0.0014	0.0327	0.0188
Plasmodium falciparum	ornithine aminotransferase	0.0026	0.0926	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.001	0.0154	0.0177
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0014	0.0327	0.0181
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0014	0.0327	0.0349
Loa Loa (eye worm)	hypothetical protein	0.001	0.0154	0.0006
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.001	0.0154	0.0177
Echinococcus multilocularis	neuropeptide receptor	0.0014	0.0327	0.0349
Echinococcus multilocularis	allatostatin A receptor	0.0014	0.0327	0.0349
Echinococcus granulosus	neuropeptide Y receptor	0.0014	0.0327	0.0349
Onchocerca volvulus		0.0014	0.0327	0.0176
Schistosoma mansoni	amine GPCR	0.0014	0.0327	0.0188
Onchocerca volvulus		0.0014	0.0327	0.0176
Chlamydia trachomatis	glutamate-1-semialdehyde-2,1-aminomutase	0.0026	0.0926	1
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0014	0.0327	0.0181
Echinococcus granulosus	neuropeptides capa receptor	0.0014	0.0327	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0033	0.1288	0.1158
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.001	0.0154	0.0164
Echinococcus multilocularis	fmrfamide receptor	0.0014	0.0327	0.0349
Brugia malayi	Carboxylesterase family protein	0.0198	0.9372	0.9362
Echinococcus multilocularis	acetylcholinesterase	0.0198	0.9372	1
Leishmania major	p-glycoprotein	0.001	0.0154	0.5
Brugia malayi	hypothetical protein	0.0014	0.0327	0.0176
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.001	0.0154	0.0164
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.001	0.0154	0.0177
Echinococcus granulosus	neuropeptide Y receptor	0.0014	0.0327	0.0349
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0014	0.0327	0.0349
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0033	0.1288	0.1335
Brugia malayi	putative neuropeptide receptor	0.0014	0.0327	0.0176
Echinococcus multilocularis	ornithine aminotransferase	0.0026	0.0926	0.0988
Echinococcus multilocularis	carboxylesterase 5A	0.0198	0.9372	1
Echinococcus granulosus	neuropeptide FF receptor 2	0.0014	0.0327	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0327	0.0181
Schistosoma mansoni	opsin-like receptor	0.0014	0.0327	0.0188
Echinococcus granulosus	tm gpcr rhodopsin	0.0014	0.0327	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0327	0.0181
Onchocerca volvulus		0.0014	0.0327	0.0176
Brugia malayi	hypothetical protein	0.0014	0.0327	0.0176
Schistosoma mansoni	neuropeptide f receptor 76f	0.0014	0.0327	0.0188
Loa Loa (eye worm)	carboxylesterase	0.0033	0.1288	0.1158
Brugia malayi	AKH receptor	0.0014	0.0327	0.0176
Entamoeba histolytica	P-glycoprotein-5	0.001	0.0154	0.5
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0327	0.0181
Entamoeba histolytica	P-glycoprotein-2	0.001	0.0154	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0014	0.0327	0.0349
Brugia malayi	Dopamine receptor protein 2	0.0014	0.0327	0.0176
Loa Loa (eye worm)	G-protein coupled receptor	0.0014	0.0327	0.0181
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0014	0.0327	0.0176
Brugia malayi	putative neuropeptide receptor NPR1	0.0014	0.0327	0.0176
Loa Loa (eye worm)	acetylcholinesterase 1	0.0198	0.9372	0.9362
Echinococcus multilocularis	g protein coupled receptor	0.0014	0.0327	0.0349
Onchocerca volvulus		0.0014	0.0327	0.0176
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0014	0.0327	0.0176
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0014	0.0327	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0327	0.0181
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.001	0.0154	0.0177
Onchocerca volvulus		0.0014	0.0327	0.0176
Echinococcus granulosus	neuropeptide receptor	0.0014	0.0327	0.0349
Brugia malayi	G protein-coupled receptor F59B2.13	0.0014	0.0327	0.0176
Echinococcus granulosus	dro:myosuppressin receptor	0.0014	0.0327	0.0349
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0014	0.0327	0.0349
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0014	0.0327	0.0188
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0014	0.0327	0.0349
Echinococcus granulosus	neuropeptides capa receptor	0.0014	0.0327	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0327	0.0181
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0014	0.0327	0.0349
Brugia malayi	hypothetical protein	0.0014	0.0327	0.0176
Schistosoma mansoni	amine GPCR	0.0014	0.0327	0.0188
Onchocerca volvulus		0.0033	0.1288	0.1153
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0014	0.0327	0.0188
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0327	0.0181
Onchocerca volvulus		0.0014	0.0327	0.0176
Onchocerca volvulus		0.0014	0.0327	0.0176
Echinococcus multilocularis	sex peptide receptor	0.0014	0.0327	0.0349
Echinococcus granulosus	rhodopsin orphan GPCR	0.0014	0.0327	0.0349
Entamoeba histolytica	P-glycoprotein-1	0.001	0.0154	0.5
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0014	0.0327	0.0176
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0014	0.0327	0.0188
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0014	0.0327	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0327	0.0181
Schistosoma mansoni	myosin xvIII	0.0014	0.0327	0.0188
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0014	0.0327	0.0349
Trichomonas vaginalis	abcb9, putative	0.001	0.0154	0.0177
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0014	0.0327	0.0188
Schistosoma mansoni	ornithine--oxo-acid transaminase	0.0026	0.0926	0.0838
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0014	0.0327	0.0176
Brugia malayi	sulfakinin receptor protein	0.0014	0.0327	0.0176
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.001	0.0154	0.0164
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.001	0.0154	0.0164
Mycobacterium ulcerans	carboxylesterase, LipT	0.0033	0.1288	0.047
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0327	0.0181
Echinococcus granulosus	Aminotransferase class III	0.0026	0.0926	0.0988
Mycobacterium tuberculosis	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA	0.0184	0.8652	1
Echinococcus multilocularis	neuropeptide Y receptor	0.0014	0.0327	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0327	0.0181
Echinococcus multilocularis	ATP binding cassette sub family B	0.001	0.0148	0.0158
Leishmania major	ATP-binding cassette protein subfamily B, member 2, putative	0.001	0.0154	0.5
Echinococcus multilocularis	dro:myosuppressin receptor	0.0014	0.0327	0.0349
Onchocerca volvulus		0.0033	0.1288	0.1153
Schistosoma mansoni	neuropeptide receptor	0.0014	0.0327	0.0188
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0014	0.0327	0.0349
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.001	0.0154	0.0177
Echinococcus granulosus	multidrug resistance protein 1	0.001	0.0154	0.0164
Echinococcus granulosus	allatostatin A receptor	0.0014	0.0327	0.0349
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0014	0.0327	0.0181
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0033	0.1288	0.1375
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0014	0.0327	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0327	0.0181
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0014	0.0327	0.0349
Echinococcus granulosus	multidrug resistance protein 1	0.001	0.0154	0.0164
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0014	0.0327	0.0188
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.001	0.0154	0.0164
Onchocerca volvulus		0.0033	0.1288	0.1153
Brugia malayi	Carboxylesterase family protein	0.0033	0.1288	0.1153
Echinococcus granulosus	hypothetical protein	0.0014	0.0327	0.0349
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.001	0.0154	0.0177
Echinococcus granulosus	neuropeptide s receptor	0.0014	0.0327	0.0349
Brugia malayi	Serotonin receptor	0.0014	0.0327	0.0176
Echinococcus multilocularis	orexin receptor type 2	0.0014	0.0327	0.0349
Brugia malayi	GnHR receptor homolog	0.0014	0.0327	0.0176
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0014	0.0327	0.0349
Schistosoma mansoni	acetylcholinesterase	0.0033	0.1288	0.1231
Brugia malayi	larval opioid receptor	0.0014	0.0327	0.0176
Brugia malayi	hypothetical protein	0.0014	0.0327	0.0176
Echinococcus granulosus	g protein coupled receptor	0.0014	0.0327	0.0349
Mycobacterium tuberculosis	Probable aminotransferase	0.0184	0.8652	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0327	0.0181
Loa Loa (eye worm)	carboxylesterase	0.0033	0.1288	0.1158
Schistosoma mansoni	neuropeptide receptor	0.0014	0.0327	0.0188
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0014	0.0327	0.0188
Schistosoma mansoni	hypothetical protein	0.0014	0.0327	0.0188
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0327	0.0181
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0327	0.0181
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0014	0.0327	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0327	0.0181
Echinococcus granulosus	g protein coupled receptor	0.0014	0.0327	0.0349
Echinococcus multilocularis	neuropeptide receptor A26	0.0014	0.0327	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0327	0.0181
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0327	0.0181
Onchocerca volvulus		0.0014	0.0327	0.0176
Onchocerca volvulus		0.0014	0.0327	0.0176
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0014	0.0327	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0327	0.0181
Brugia malayi	RE15519p	0.0014	0.0327	0.0176
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0014	0.0327	0.0349
Brugia malayi	follicle stimulating hormone receptor	0.0014	0.0327	0.0176
Schistosoma mansoni	growth hormone secretagogue receptor	0.0014	0.0327	0.0188
Echinococcus granulosus	tm gpcr rhodopsin	0.0014	0.0327	0.0349
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0014	0.0327	0.0176
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0327	0.0181
Echinococcus granulosus	neuroligin	0.0033	0.1288	0.1375
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0014	0.0327	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0327	0.0181
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0014	0.0327	0.0349
Schistosoma mansoni	neuropeptide F-like receptor	0.0014	0.0327	0.0188
Echinococcus granulosus	biogenic amine 5HT receptor	0.0014	0.0327	0.0349
Echinococcus granulosus	para nitrobenzyl esterase	0.0033	0.1288	0.1375
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0014	0.0327	0.0188
Onchocerca volvulus		0.0014	0.0327	0.0176
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0327	0.0181
Echinococcus granulosus	rhodopsin orphan GPCR	0.0014	0.0327	0.0349
Echinococcus granulosus	BC026374 protein S09 family	0.0033	0.1288	0.1375

Activities

Activity type	Activity value	Assay description	Source	Reference
AC50 (functional)	1.06 uM	PubChem BioAssay. Mycobacterium tuberculosis BioA enzyme inhibitor Measured in Biochemical System Using Plate Reader - 2163-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	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: CHEMBL1711749

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1517092