TDR Targets

Basic information

Technical information

TDR Targets ID: 1101436
Name: 3-[hydroxy-(2,2,2-trifluoroacetyl)amino]propy lphosphonic acid
MW: 251.098 | Formula: C5H9F3NO5P
H donors: 3 H acceptors: 5 LogP: -1.12 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: ON(C(=O)C(F)(F)F)CCCP(=O)(O)O
InChi: 1S/C5H9F3NO5P/c6-5(7,8)4(10)9(11)2-1-3-15(12,13)14/h11H,1-3H2,(H2,12,13,14)
InChiKey: XSFPIPPKOYPIQE-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-[hydroxy-(2,2,2-trifluoro-1-oxoethyl)amino]propylphosphonic acid
3-(hydroxy-(2,2,2-trifluoroethanoyl)amino)propylphosphonic acid

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Escherichia coli	1-deoxy-D-xylulose 5-phosphate reductoisomerase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Plasmodium yoelii	1-deoxy-D-xylulose 5-phosphate reductoisomerase	Get druggable targets OG5_130462	All targets in OG5_130462
Treponema pallidum	1-deoxy-D-xylulose 5-phosphate reductoisomerase	Get druggable targets OG5_130462	All targets in OG5_130462
Neospora caninum	1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative	Get druggable targets OG5_130462	All targets in OG5_130462
Chlamydia trachomatis	1-deoxy-D-xylulose 5-phosphate reductoisomerase	Get druggable targets OG5_130462	All targets in OG5_130462
Toxoplasma gondii	1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative	Get druggable targets OG5_130462	All targets in OG5_130462
Wolbachia endosymbiont of Brugia malayi	1-deoxy-D-xylulose 5-phosphate reductoisomerase	Get druggable targets OG5_130462	All targets in OG5_130462
Mycobacterium tuberculosis	Probable 1-deoxy-D-xylulose 5-phosphate reductoisomerase Dxr (DXP reductoisomerase) (1-deoxyxylulose-5-phosphate reductoisomeras	Get druggable targets OG5_130462	All targets in OG5_130462
Mycobacterium ulcerans	1-deoxy-D-xylulose 5-phosphate reductoisomerase	Get druggable targets OG5_130462	All targets in OG5_130462
Mycobacterium leprae	PROBABLE 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE DXR (DXP REDUCTOISOMERASE) (1-DEOXYXYLULOSE-5-PHOSPHATE REDUCTOISOMERAS	Get druggable targets OG5_130462	All targets in OG5_130462
Plasmodium falciparum	1-deoxy-D-xylulose 5-phosphate reductoisomerase	Get druggable targets OG5_130462	All targets in OG5_130462
Babesia bovis	1-deoxy-D-xylulose 5-phosphate reductoisomerase family protein	Get druggable targets OG5_130462	All targets in OG5_130462
Plasmodium berghei	1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative	Get druggable targets OG5_130462	All targets in OG5_130462
Plasmodium knowlesi	1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative	Get druggable targets OG5_130462	All targets in OG5_130462
Theileria parva	1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative	Get druggable targets OG5_130462	All targets in OG5_130462
Plasmodium vivax	1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative	Get druggable targets OG5_130462	All targets in OG5_130462

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
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0089	0.0306	0.0595
Plasmodium vivax	1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative	0.052	0.2747	1
Plasmodium falciparum	thioredoxin reductase	0.0053	0.0098	0.025
Schistosoma mansoni	ap endonuclease	0.0041	0.003	0.0261
Brugia malayi	hypothetical protein	0.0089	0.0306	0.073
Brugia malayi	hypothetical protein	0.0089	0.0306	0.073
Schistosoma mansoni	hypothetical protein	0.0089	0.0306	0.398
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0775	0.4194	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0041	0.003	0.0135
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0089	0.0306	0.2399
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0089	0.0306	0.398
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0018	0.0018
Onchocerca volvulus		0.0089	0.0306	1
Echinococcus granulosus	g-protein coupled receptor	0.0089	0.0306	0.2399
Echinococcus granulosus	rhodopsin orphan GPCR	0.0089	0.0306	0.2399
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.012	0.0481	0.1698
Brugia malayi	GnHR receptor homolog	0.0089	0.0306	0.073
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0089	0.0306	0.0595
Echinococcus multilocularis	g protein coupled receptor	0.0089	0.0306	0.0595
Echinococcus multilocularis	neuropeptides capa receptor	0.0089	0.0306	0.0595
Echinococcus multilocularis	g protein coupled receptor	0.0089	0.0306	0.0595
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0089	0.0306	0.0306
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0055	0.0109	0.026
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.012	0.0481	0.3915
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0306	0.0306
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0089	0.0306	0.398
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.005	0.0083	0.0083
Onchocerca volvulus		0.0089	0.0306	1
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0089	0.0306	0.0595
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0041	0.003	0.0043
Echinococcus multilocularis	allatostatin A receptor	0.0089	0.0306	0.0595
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0306	0.0306
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0306	0.0306
Echinococcus granulosus	neuropeptide Y receptor	0.0089	0.0306	0.2399
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0089	0.0306	0.0595
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0083	0.0977
Brugia malayi	hypothetical protein	0.0038	0.0014	0.0033
Loa Loa (eye worm)	neuropeptide F receptor	0.0089	0.0306	0.0306
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0306	0.0306
Echinococcus granulosus	neuropeptide s receptor	0.0089	0.0306	0.2399
Echinococcus granulosus	dro:myosuppressin receptor	0.0089	0.0306	0.2399
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0041	0.003	0.0028
Schistosoma mansoni	neuropeptide receptor	0.0089	0.0306	0.398
Onchocerca volvulus		0.0089	0.0306	1
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0306	0.0306
Loa Loa (eye worm)	thioredoxin reductase	0.0053	0.0098	0.0098
Onchocerca volvulus		0.0089	0.0306	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0041	0.003	0.0028
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0089	0.0306	0.398
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0306	0.0306
Loa Loa (eye worm)	G-protein coupled receptor	0.0089	0.0306	0.0306
Plasmodium vivax	glutathione reductase, putative	0.0053	0.0098	0.0292
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0306	0.0306
Toxoplasma gondii	thioredoxin reductase	0.0053	0.0098	0.0292
Echinococcus granulosus	thioredoxin glutathione reductase	0.0053	0.0098	0.0692
Brugia malayi	Dopamine receptor protein 2	0.0089	0.0306	0.073
Onchocerca volvulus		0.0089	0.0306	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0134	0.0558	0.4559
Echinococcus granulosus	rhodopsin orphan GPCR	0.0089	0.0306	0.2399
Echinococcus granulosus	neuropeptide receptor	0.0089	0.0306	0.2399
Onchocerca volvulus		0.0089	0.0306	1
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0306	0.0306
Echinococcus multilocularis	serotonin receptor	0.0089	0.0306	0.0595
Brugia malayi	sulfakinin receptor protein	0.0089	0.0306	0.073
Trypanosoma cruzi	trypanothione reductase, putative	0.0053	0.0098	0.0191
Echinococcus granulosus	rhodopsin orphan GPCR	0.0089	0.0306	0.2399
Echinococcus granulosus	beta LACTamase domain containing family member	0.0039	0.0018	0.0038
Echinococcus granulosus	neuropeptide FF receptor 2	0.0089	0.0306	0.2399
Echinococcus granulosus	orexin receptor type 2	0.0089	0.0306	0.2399
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0089	0.0306	0.398
Onchocerca volvulus		0.0089	0.0306	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0018	0.0018
Chlamydia trachomatis	1-deoxy-D-xylulose 5-phosphate reductoisomerase	0.052	0.2747	0.5
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0306	0.0306
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0306	0.0306
Schistosoma mansoni	opsin-like receptor	0.0089	0.0306	0.398
Toxoplasma gondii	exonuclease III APE	0.0041	0.003	0.0043
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0089	0.0306	0.398
Schistosoma mansoni	biogenic amine receptor	0.0089	0.0306	0.398
Echinococcus multilocularis	G protein coupled receptor 139	0.0089	0.0306	0.0595
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0089	0.0306	0.0595
Brugia malayi	Serotonin receptor	0.0089	0.0306	0.073
Echinococcus multilocularis	dro:myosuppressin receptor	0.0089	0.0306	0.0595
Echinococcus granulosus	G protein coupled receptor 139	0.0089	0.0306	0.2399
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0039	0.0018	0.0018
Echinococcus granulosus	7TM GPCR rhodopsin	0.0089	0.0306	0.2399
Schistosoma mansoni	amine GPCR	0.0089	0.0306	0.398
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.0083	0.0142
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0089	0.0306	0.0595
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.0083	0.0571
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0089	0.0306	1
Brugia malayi	Dopamine receptor	0.0089	0.0306	0.073
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0089	0.0306	0.073
Plasmodium falciparum	glutathione reductase	0.0053	0.0098	0.025
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0089	0.0306	0.0595
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0089	0.0306	0.398
Schistosoma mansoni	growth hormone secretagogue receptor	0.0089	0.0306	0.398
Loa Loa (eye worm)	glutathione reductase	0.0053	0.0098	0.0098
Echinococcus granulosus	neuropeptide receptor A26	0.0089	0.0306	0.2399
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0089	0.0306	0.0595
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0089	0.0306	0.0306
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0089	0.0306	0.2399
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.012	0.0481	0.3915
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0089	0.0306	0.398
Schistosoma mansoni	adenoreceptor	0.0089	0.0306	0.398
Mycobacterium tuberculosis	Probable 1-deoxy-D-xylulose 5-phosphate reductoisomerase Dxr (DXP reductoisomerase) (1-deoxyxylulose-5-phosphate reductoisomeras	0.0125	0.0508	0.4136
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0089	0.0306	0.398
Echinococcus granulosus	fmrfamide receptor	0.0089	0.0306	0.2399
Brugia malayi	Melatonin receptor type 1A	0.0089	0.0306	0.073
Echinococcus granulosus	neuropeptide receptor	0.0089	0.0306	0.2399
Loa Loa (eye worm)	hypothetical protein	0.0396	0.2045	0.2045
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0089	0.0306	0.0595
Echinococcus granulosus	biogenic amine 5HT receptor	0.0089	0.0306	0.2399
Echinococcus multilocularis	fmrfamide receptor	0.0089	0.0306	0.0595
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0306	0.0306
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0089	0.0306	0.0595
Brugia malayi	follicle stimulating hormone receptor	0.0089	0.0306	0.073
Trichomonas vaginalis	ap endonuclease, putative	0.0041	0.003	1
Echinococcus granulosus	hypothetical protein	0.0089	0.0306	0.2399
Brugia malayi	hypothetical protein	0.0089	0.0306	0.073
Schistosoma mansoni	hypothetical protein	0.0089	0.0306	0.398
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0089	0.0306	0.2399
Echinococcus granulosus	sex peptide receptor	0.0089	0.0306	0.2399
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0089	0.0306	0.073
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0089	0.0306	0.0595
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0306	0.0306
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0089	0.0306	0.2399
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.0083	0.0142
Mycobacterium tuberculosis	Probable reductase	0.012	0.0481	0.3915
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0089	0.0306	0.0595
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0306	0.0306
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0306	0.0306
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0089	0.0306	0.2399
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0089	0.0306	0.398
Loa Loa (eye worm)	neuropeptide F receptor	0.0089	0.0306	0.0306
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0011	0.0011
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0089	0.0306	0.0595
Schistosoma mansoni	ap endonuclease	0.0041	0.003	0.0261
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0089	0.0306	0.398
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0306	0.0306
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0306	0.0306
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0018	0.0018
Brugia malayi	G protein-coupled receptor F59B2.13	0.0089	0.0306	0.073
Plasmodium vivax	thioredoxin reductase, putative	0.0053	0.0098	0.0292
Brugia malayi	ERG2 and Sigma1 receptor like protein	0.0775	0.4194	1
Brugia malayi	G-protein coupled receptor	0.0089	0.0306	0.073
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0775	0.4194	1
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0089	0.0306	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0039	0.0018	0.0009
Onchocerca volvulus		0.0089	0.0306	1
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0041	0.003	0.0028
Treponema pallidum	1-deoxy-D-xylulose 5-phosphate reductoisomerase	0.052	0.2747	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0018	0.0018
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0306	0.0306
Schistosoma mansoni	hypothetical protein	0.0052	0.0091	0.1085
Schistosoma mansoni	survival motor neuron protein	0.0052	0.0091	0.1085
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0089	0.0306	0.398
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0089	0.0306	0.0595
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0018	0.0018
Schistosoma mansoni	hypothetical protein	0.0038	0.0014	0.0039
Schistosoma mansoni	hypothetical protein	0.0089	0.0306	0.398
Onchocerca volvulus		0.0052	0.0091	0.2536
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0018	0.0101
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0089	0.0306	0.2399
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0089	0.0306	0.398
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0089	0.0306	0.2399
Echinococcus multilocularis	sex peptide receptor	0.0089	0.0306	0.0595
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0089	0.0306	0.0595
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0134	0.0558	0.1977
Schistosoma mansoni	neuropeptide F-like receptor	0.0089	0.0306	0.398
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0134	0.0558	0.4559
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0306	0.0306
Echinococcus multilocularis	fmrfamide receptor	0.0089	0.0306	0.0595
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0089	0.0306	0.398
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0306	0.0306
Schistosoma mansoni	transcription factor LCR-F1	0.0038	0.0014	0.0039
Brugia malayi	Thioredoxin reductase	0.0053	0.0098	0.0234
Brugia malayi	hypothetical protein	0.0253	0.1233	0.2941
Loa Loa (eye worm)	G-protein coupled receptor	0.0089	0.0306	0.0306
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0306	0.0306
Echinococcus granulosus	g protein coupled receptor	0.0089	0.0306	0.2399
Echinococcus granulosus	biogenic amine 5HT receptor	0.0089	0.0306	0.2399
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0018	0.0018
Echinococcus granulosus	serotonin receptor	0.0089	0.0306	0.2399
Leishmania major	C-8 sterol isomerase-like protein	0.0775	0.4194	1
Schistosoma mansoni	neuropeptide f receptor 76f	0.0089	0.0306	0.398
Brugia malayi	beta-lactamase family protein	0.0039	0.0018	0.0044
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.012	0.0481	0.3915
Brugia malayi	AKH receptor	0.0089	0.0306	0.073
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0053	0.0098	0.0172
Echinococcus granulosus	tm gpcr rhodopsin	0.0089	0.0306	0.2399
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0306	0.0306
Schistosoma mansoni	hypothetical protein	0.0089	0.0306	0.398
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0306	0.0306
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0089	0.0306	0.073
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0306	0.0306
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0089	0.0306	0.2399
Brugia malayi	G-protein coupled receptor	0.0089	0.0306	0.073
Brugia malayi	beta-lactamase	0.0039	0.0018	0.0044
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0083	0.0977
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0089	0.0306	0.398
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0306	0.0306
Echinococcus granulosus	rhodopsin orphan GPCR	0.0089	0.0306	0.2399
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0041	0.003	0.01
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0089	0.0306	0.0306
Schistosoma mansoni	myosin xvIII	0.0089	0.0306	0.398
Mycobacterium leprae	PROBABLE 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE DXR (DXP REDUCTOISOMERASE) (1-DEOXYXYLULOSE-5-PHOSPHATE REDUCTOISOMERAS	0.052	0.2747	1
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.012	0.0481	0.3915
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0041	0.003	0.0043
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0306	0.0306
Brugia malayi	exodeoxyribonuclease III family protein	0.0041	0.003	0.0072
Echinococcus granulosus	neuropeptide Y receptor	0.0089	0.0306	0.2399
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0089	0.0306	0.073
Onchocerca volvulus		0.0089	0.0306	1
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0306	0.0306
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0306	0.0306
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0306	0.0306
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0089	0.0306	0.0595
Brugia malayi	beta-lactamase family protein	0.0039	0.0018	0.0044
Schistosoma mansoni	neuropeptide receptor	0.0089	0.0306	0.398
Brugia malayi	ORL1-like opioid receptor	0.0089	0.0306	0.073
Echinococcus multilocularis	somatostatin receptor	0.0089	0.0306	0.0595
Echinococcus granulosus	tm gpcr rhodopsin	0.0089	0.0306	0.2399
Brugia malayi	Dopamine receptor protein 1	0.0089	0.0306	0.073
Wolbachia endosymbiont of Brugia malayi	1-deoxy-D-xylulose 5-phosphate reductoisomerase	0.052	0.2747	1
Trypanosoma brucei	trypanothione reductase	0.0053	0.0098	0.0191
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0089	0.0306	0.0306
Brugia malayi	G protein-coupled receptor	0.0089	0.0306	0.073
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0039	0.0018	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0775	0.4194	0.4194
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0041	0.003	0.0028
Loa Loa (eye worm)	TYRA-2 protein	0.0089	0.0306	0.0306
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0905	0.4932	1
Echinococcus granulosus	neuropeptides capa receptor	0.0089	0.0306	0.2399
Brugia malayi	putative neuropeptide receptor NPR1	0.0089	0.0306	0.073
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0089	0.0306	0.398
Echinococcus granulosus	rhodopsin orphan GPCR	0.0089	0.0306	0.2399
Echinococcus granulosus	g protein coupled receptor	0.0089	0.0306	0.2399
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0109	0.0109
Echinococcus granulosus	7tm_1 domain containing protein	0.0089	0.0306	0.2399
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0018	0.0101
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0055	0.0109	0.026
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0089	0.0306	0.0595
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0041	0.003	0.003
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0306	0.0306
Echinococcus multilocularis	neuropeptide receptor A26	0.0089	0.0306	0.0595
Onchocerca volvulus		0.0089	0.0306	1
Onchocerca volvulus		0.0089	0.0306	1
Echinococcus granulosus	neuropeptides capa receptor	0.0089	0.0306	0.2399
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0306	0.0306
Echinococcus multilocularis	neuropeptide receptor	0.0089	0.0306	0.0595
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0052	0.0091	0.0218
Mycobacterium ulcerans	1-deoxy-D-xylulose 5-phosphate reductoisomerase	0.052	0.2747	1
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0089	0.0306	0.0595
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0089	0.0306	0.398
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0306	0.0306
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0306	0.0306
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0089	0.0306	0.398
Echinococcus multilocularis	neuropeptides capa receptor	0.0089	0.0306	0.0595
Loa Loa (eye worm)	hypothetical protein	0.0253	0.1233	0.1233
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0089	0.0306	0.0595
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0041	0.003	1
Brugia malayi	larval opioid receptor	0.0089	0.0306	0.073
Brugia malayi	RE15519p	0.0089	0.0306	0.073
Echinococcus granulosus	g protein coupled receptor	0.0089	0.0306	0.2399
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0306	0.0306
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0306	0.0306
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0053	0.0098	0.0674
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0247	0.1202	1
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0306	0.0306
Echinococcus multilocularis	neuropeptide Y receptor	0.0089	0.0306	0.0595
Brugia malayi	hypothetical protein	0.0089	0.0306	0.073
Schistosoma mansoni	amine GPCR	0.0089	0.0306	0.398
Brugia malayi	Serotonin receptor	0.0089	0.0306	0.073
Echinococcus granulosus	rhodopsin orphan GPCR	0.0089	0.0306	0.2399
Echinococcus multilocularis	serotonin receptor	0.0089	0.0306	0.0595
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0306	0.0306
Echinococcus granulosus	tm gpcr rhodopsin	0.0089	0.0306	0.2399
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0089	0.0306	0.398
Echinococcus multilocularis	g-protein coupled receptor	0.0089	0.0306	0.0595
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0089	0.0306	0.398
Brugia malayi	hypothetical protein	0.0089	0.0306	0.073
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0089	0.0306	0.0595
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0089	0.0306	0.073
Brugia malayi	latrophilin 2 splice variant baaae	0.0037	0.0011	0.0026
Schistosoma mansoni	biogenic amine receptor	0.0089	0.0306	0.398
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0306	0.0306
Echinococcus multilocularis	orexin receptor type 2	0.0089	0.0306	0.0595
Echinococcus granulosus	survival motor neuron protein 1	0.0253	0.1233	1
Onchocerca volvulus		0.0089	0.0306	1
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0041	0.003	0.5
Onchocerca volvulus		0.0089	0.0306	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0089	0.0306	0.398
Schistosoma mansoni	amine GPCR	0.0089	0.0306	0.398
Brugia malayi	putative neuropeptide receptor	0.0089	0.0306	0.073
Brugia malayi	glutathione reductase	0.0053	0.0098	0.0234
Brugia malayi	neuropeptide F receptor	0.0089	0.0306	0.073
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0306	0.0306
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0041	0.003	0.0033
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0055	0.0109	0.0109
Schistosoma mansoni	opsin-like receptor	0.0089	0.0306	0.398
Echinococcus granulosus	allatostatin A receptor	0.0089	0.0306	0.2399
Echinococcus multilocularis	neuropeptide receptor	0.0089	0.0306	0.0595
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0306	0.0306
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0089	0.0306	0.398
Schistosoma mansoni	neuropeptide F-like receptor	0.0089	0.0306	0.398
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0306	0.0306
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0306	0.0306
Echinococcus multilocularis	survival motor neuron protein 1	0.0253	0.1233	0.248
Toxoplasma gondii	1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative	0.052	0.2747	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0089	0.0306	0.0595
Brugia malayi	hypothetical protein	0.0089	0.0306	0.073
Brugia malayi	hypothetical protein	0.0089	0.0306	0.073
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0089	0.0306	0.398
Echinococcus multilocularis	g protein coupled receptor	0.0089	0.0306	0.0595
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0083	0.0977
Schistosoma mansoni	biogenic amine receptor	0.0089	0.0306	0.398
Schistosoma mansoni	opsin-like receptor	0.0089	0.0306	0.398
Echinococcus granulosus	rhodopsin orphan GPCR	0.0089	0.0306	0.2399
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0089	0.0306	0.0595
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0089	0.0306	0.0595
Mycobacterium tuberculosis	Probable oxidoreductase	0.0134	0.0558	0.4559
Schistosoma mansoni	histamine h1 receptor	0.0089	0.0306	0.398
Onchocerca volvulus		0.0089	0.0306	1
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0306	0.0306
Brugia malayi	neuropeptide F receptor	0.0089	0.0306	0.073
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0306	0.0306
Loa Loa (eye worm)	hypothetical protein	0.1798	1	1
Echinococcus multilocularis	neuropeptide s receptor	0.0089	0.0306	0.0595
Brugia malayi	hypothetical protein	0.0089	0.0306	0.073
Echinococcus granulosus	somatostatin receptor	0.0089	0.0306	0.2399
Onchocerca volvulus		0.0089	0.0306	1
Schistosoma mansoni	amine GPCR	0.0089	0.0306	0.398
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0089	0.0306	0.398
Onchocerca volvulus		0.0089	0.0306	1
Leishmania major	trypanothione reductase	0.0053	0.0098	0.0191
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0089	0.0306	0.0595
Mycobacterium tuberculosis	Probable dehydrogenase	0.012	0.0481	0.3915
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.0083	0.0571
Plasmodium falciparum	1-deoxy-D-xylulose 5-phosphate reductoisomerase	0.052	0.2747	1
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0089	0.0306	0.0306
Loa Loa (eye worm)	melatonin receptor type 1A	0.0089	0.0306	0.0306
Trichomonas vaginalis	ap endonuclease, putative	0.0041	0.003	1
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0089	0.0306	0.073
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0089	0.0306	0.2399
Schistosoma mansoni	amine GPCR	0.0089	0.0306	0.398
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0089	0.0306	0.398
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.005	0.0083	0.0199
Schistosoma mansoni	neuropeptide receptor	0.0089	0.0306	0.398
Brugia malayi	hypothetical protein	0.0089	0.0306	0.073
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0089	0.0306	0.398
Echinococcus multilocularis	neuropeptide Y receptor	0.0089	0.0306	0.0595
Schistosoma mansoni	neuropeptide receptor	0.0089	0.0306	0.398
Onchocerca volvulus		0.0089	0.0306	1
Brugia malayi	hypothetical protein	0.0089	0.0306	0.073
Loa Loa (eye worm)	beta-lactamase	0.0039	0.0018	0.0018

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= -4.85	Inhibitory concentration against DOXP reductoisomerase	ChEMBL.	15887963

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: CHEMBL607356

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1101436