TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 384.34 | Formula: C18H14F2N6O2
H donors: 0 H acceptors: 5 LogP: 2.17 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: FC(Oc1cccnc1c1nn(c2c1ncc(n2)OCc1ccccn1)C)F
InChi: 1S/C18H14F2N6O2/c1-26-17-16(15(25-26)14-12(28-18(19)20)6-4-8-22-14)23-9-13(24-17)27-10-11-5-2-3-7-21-11/h2-9,18H,10H2,1H3
InChiKey: ALTIRUHSTCYURC-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Metabotropic glutamate receptor 5	Starlite/ChEMBL	References
Homo sapiens	glutamate receptor, metabotropic 5	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	Get druggable targets OG5_127095	All targets in OG5_127095
Brugia malayi	Metabotropic glutamate receptor precursor.	Get druggable targets OG5_127095	All targets in OG5_127095
Echinococcus granulosus	metabotropic glutamate receptor 5	Get druggable targets OG5_127095	All targets in OG5_127095
Loa Loa (eye worm)	glutamate receptor	Get druggable targets OG5_127095	All targets in OG5_127095
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_127095	All targets in OG5_127095
Schistosoma japonicum	Metabotropic glutamate receptor precursor, putative	Get druggable targets OG5_127095	All targets in OG5_127095
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127095	All targets in OG5_127095
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	Get druggable targets OG5_127095	All targets in OG5_127095
Schistosoma japonicum	ko:K04606 glutamate receptor, metabotropic 3, putative	Get druggable targets OG5_127095	All targets in OG5_127095
Schistosoma mansoni	metabotropic glutamate receptor	Get druggable targets OG5_127095	All targets in OG5_127095
Echinococcus granulosus	metabotropic glutamate receptor 2	Get druggable targets OG5_127095	All targets in OG5_127095
Echinococcus multilocularis	metabotropic glutamate receptor 5	Get druggable targets OG5_127095	All targets in OG5_127095
Echinococcus multilocularis	metabotropic glutamate receptor 2	Get druggable targets OG5_127095	All targets in OG5_127095

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
Trypanosoma cruzi	beta-ketoacyl-ACP reductase 2, putative	0.0102	0.7451	0.5
Mycobacterium ulcerans	short-chain type oxidoreductase	0.0102	0.7451	0.5
Giardia lamblia	Hypothetical protein	0.0102	0.7451	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0102	0.7451	0.5
Mycobacterium leprae	ROBABLE SHORT-CHAIN TYPE DEHYDROGENASE/REDUCTASE	0.0102	0.7451	0.5
Mycobacterium tuberculosis	Probable short-chain dehydrogenase/reductase	0.0102	0.7451	0.5
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0102	0.7451	0.8529
Mycobacterium leprae	Possible short-chain dehydrogenase EphD	0.0102	0.7451	0.5
Echinococcus granulosus	epidermal retinal dehydrogenase 2	0.0102	0.7451	0.5181
Loa Loa (eye worm)	hypothetical protein	0.0102	0.7451	0.1796
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0102	0.7451	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0102	0.7451	1
Leishmania major	quinonoid dihydropteridine reductase	0.0102	0.7451	0.5
Leishmania major	dehydrogenase-like protein	0.0102	0.7451	0.5
Echinococcus multilocularis	estradiol 17 beta dehydrogenase 12	0.0102	0.7451	0.5181
Onchocerca volvulus		0.0102	0.7451	0.5
Entamoeba histolytica	oxidoreductase, short chain dehydrogenase/reductase family	0.0102	0.7451	0.5
Onchocerca volvulus		0.0102	0.7451	0.5
Mycobacterium ulcerans	short-chain dehydrogenase	0.0102	0.7451	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0102	0.7451	0.8529
Schistosoma mansoni	steroid dehydrogenase	0.0102	0.7451	0.8529
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0102	0.7451	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0102	0.7451	0.5
Loa Loa (eye worm)	short chain dehydrogenase/reductase family oxidoreductase	0.0102	0.7451	0.1796
Mycobacterium ulcerans	short-chain dehydrogenase	0.0102	0.7451	0.5
Onchocerca volvulus		0.0102	0.7451	0.5
Loa Loa (eye worm)	hypothetical protein	0.0102	0.7451	0.1796
Leishmania major	hypothetical protein, conserved	0.0102	0.7451	0.5
Trypanosoma brucei	beta-ketoacyl-ACP reductase 2	0.0102	0.7451	0.5
Entamoeba histolytica	short chain dehydrogenase family protein	0.0102	0.7451	0.5
Onchocerca volvulus		0.0102	0.7451	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0102	0.7451	0.5
Brugia malayi	Hypothetical oxidoreductase F56D1.5	0.0102	0.7451	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0102	0.7451	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0102	0.7451	0.5
Brugia malayi	hypothetical protein	0.0102	0.7451	1
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0102	0.7451	1
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0102	0.7451	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0102	0.7451	0.5
Echinococcus multilocularis	Dehydrogenase:reductase SDR family	0.0102	0.7451	0.5181
Brugia malayi	dehydrogenases, short chain protein 2	0.0102	0.7451	1
Onchocerca volvulus	Sepiapterin reductase homolog	0.0102	0.7451	0.5
Loa Loa (eye worm)	oxidoreductase	0.0102	0.7451	0.1796
Schistosoma mansoni	short chain dehydrogenase	0.0102	0.7451	0.8529
Trichomonas vaginalis	estradiol 17 beta-dehydrogenase, putative	0.0102	0.7451	0.5
Mycobacterium ulcerans	ketoacyl reductase	0.0102	0.7451	0.5
Trypanosoma cruzi	NAD(P)-dependent oxidoreductase, putative	0.0102	0.7451	0.5
Echinococcus granulosus	hypothetical protein	0.0102	0.7451	0.5181
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0102	0.7451	0.5
Onchocerca volvulus		0.0102	0.7451	0.5
Mycobacterium ulcerans	dehydrogenase/decarboxylase protein	0.0102	0.7451	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0102	0.7451	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0102	0.7451	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0102	0.7451	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0102	0.7451	0.8529
Leishmania major	quinonoid dihydropteridine reductase	0.0102	0.7451	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0102	0.7451	0.8529
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0102	0.7451	0.5
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0102	0.7451	0.5
Onchocerca volvulus		0.0102	0.7451	0.5
Loa Loa (eye worm)	hypothetical protein	0.0102	0.7451	0.1796
Echinococcus multilocularis	epidermal retinal dehydrogenase 2	0.0102	0.7451	0.5181
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0102	0.7451	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0102	0.7451	0.5
Onchocerca volvulus		0.0102	0.7451	0.5
Trypanosoma brucei	3-keto-dihydrosphingosine reductase	0.0102	0.7451	0.5
Mycobacterium ulcerans	short-chain dehydrogenase	0.0102	0.7451	0.5
Mycobacterium tuberculosis	Possible iron-regulated short-chain dehydrogenase/reductase	0.0102	0.7451	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0102	0.7451	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0102	0.7451	0.5
Trypanosoma cruzi	short-chain dehydrogenase, putative	0.0102	0.7451	0.5
Mycobacterium tuberculosis	Possible ketoacyl reductase	0.0102	0.7451	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0102	0.7451	1
Trypanosoma cruzi	beta-ketoacyl-ACP reductase 2, putative	0.0102	0.7451	0.5
Mycobacterium ulcerans	ketoacyl reductase	0.0102	0.7451	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0102	0.7451	0.8529
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0102	0.7451	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0102	0.7451	1
Schistosoma mansoni	short chain dehydrogenase	0.0102	0.7451	0.8529
Mycobacterium ulcerans	short-chain membrane-associated dehydrogenase	0.0102	0.7451	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0102	0.7451	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0102	0.7451	0.5
Onchocerca volvulus		0.0102	0.7451	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0102	0.7451	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0102	0.7451	0.5
Onchocerca volvulus		0.0102	0.7451	0.5
Trypanosoma cruzi	short chain dehydrogenase/reductase, putative	0.0102	0.7451	0.5
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0089	0.5628	0.7554
Mycobacterium tuberculosis	Possible oxidoreductase	0.0102	0.7451	0.5
Leishmania major	short chain dehydrogenase/reductase, putative	0.0102	0.7451	0.5
Trypanosoma brucei	3-ketoacyl-CoA reductase, putative	0.0102	0.7451	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0102	0.7451	0.8529
Mycobacterium ulcerans	short chain dehydrogenase	0.0102	0.7451	0.5
Loa Loa (eye worm)	hypothetical protein	0.0102	0.7451	0.1796
Echinococcus multilocularis	steroid dehydrogenase	0.0102	0.7451	0.5181
Echinococcus multilocularis	carbonyl reductase 1	0.0102	0.7451	0.5181
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0102	0.7451	0.5
Mycobacterium tuberculosis	Possible fatty acyl-CoA reductase	0.0102	0.7451	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0102	0.7451	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0102	0.7451	0.5
Echinococcus multilocularis	3 ketodihydrosphingosine reductase	0.0102	0.7451	0.5181
Schistosoma mansoni	steroid dehydrogenase	0.0102	0.7451	0.8529
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0102	0.7451	0.5
Mycobacterium leprae	Probable oxidoreductase	0.0102	0.7451	0.5
Mycobacterium tuberculosis	Possible oxidoreductase	0.0102	0.7451	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0102	0.7451	0.5
Onchocerca volvulus		0.0102	0.7451	0.5
Echinococcus granulosus	carbonyl reductase 1	0.0102	0.7451	0.5181
Leishmania major	pteridine reductase 1	0.0102	0.7451	0.5
Loa Loa (eye worm)	oxidoreductase	0.0102	0.7451	0.1796
Entamoeba histolytica	hypothetical protein, conserved	0.0102	0.7451	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0102	0.7451	1
Brugia malayi	Dehydrogenases, short chain protein 30	0.0102	0.7451	1
Loa Loa (eye worm)	oxidoreductase	0.0102	0.7451	0.1796
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0102	0.7451	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0102	0.7451	1
Trypanosoma cruzi	3-keto-dihydrosphingosine reductase	0.0102	0.7451	0.5
Loa Loa (eye worm)	oxidoreductase	0.0102	0.7451	0.1796
Leishmania major	quinonoid dihydropteridine reductase	0.0102	0.7451	0.5
Mycobacterium leprae	Probable short-chain type dehydrogenase/reductase	0.0102	0.7451	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0102	0.7451	1
Echinococcus multilocularis	retinol dehydrogenase 11	0.0102	0.7451	0.5181
Mycobacterium ulcerans	3-alpha-hydroxysteroid dehydrogenase	0.0102	0.7451	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0102	0.7451	0.5
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0102	0.7451	0.5
Loa Loa (eye worm)	oxidoreductase	0.0102	0.7451	0.1796
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0102	0.7451	1
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0102	0.7451	1
Trypanosoma cruzi	short chain dehydrogenase/reductase, putative	0.0102	0.7451	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0102	0.7451	0.5
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0102	0.7451	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0102	0.7451	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0102	0.7451	0.8529
Echinococcus granulosus	carbonyl reductase 1	0.0102	0.7451	0.5181
Trypanosoma cruzi	short-chain dehydrogenase, putative	0.0102	0.7451	0.5
Trypanosoma brucei	beta-D-hydroxybutyrate dehydrogenase	0.0102	0.7451	0.5
Leishmania major	short chain dehydrogenase, putative	0.0102	0.7451	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0102	0.7451	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0102	0.7451	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0102	0.7451	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0102	0.7451	1
Schistosoma mansoni	retinal dehydrogenase	0.0102	0.7451	0.8529
Mycobacterium ulcerans	short chain dehydrogenase	0.0102	0.7451	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0102	0.7451	0.8529
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0102	0.7451	1
Toxoplasma gondii	2,4-dienoyl CoA reductase 2, peroxisomal family protein	0.0102	0.7451	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0102	0.7451	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0102	0.7451	0.5
Echinococcus multilocularis	carbonyl reductase 1	0.0102	0.7451	0.5181
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 1 homolog	0.0102	0.7451	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0102	0.7451	0.5
Leishmania major	short chain dehydrogenase-like protein	0.0102	0.7451	0.5
Toxoplasma gondii	oxidoreductase, putative	0.0102	0.7451	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0102	0.7451	1
Schistosoma mansoni	short chain dehydrogenase	0.0102	0.7451	0.8529
Mycobacterium ulcerans	oxidoreductase	0.0102	0.7451	0.5
Echinococcus granulosus	3 ketodihydrosphingosine reductase	0.0102	0.7451	0.5181
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0102	0.7451	1
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0102	0.7451	1
Leishmania major	short chain dehydrogenase, putative	0.0102	0.7451	0.5
Leishmania major	hypothetical protein, conserved	0.0102	0.7451	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0102	0.7451	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0102	0.7451	0.8529
Loa Loa (eye worm)	hypothetical protein	0.0102	0.7451	0.1796
Leishmania major	hypothetical protein, conserved	0.0102	0.7451	0.5
Echinococcus multilocularis	steroid dehydrogenase	0.0102	0.7451	0.5181
Mycobacterium tuberculosis	Probable oxidoreductase	0.0102	0.7451	0.5
Toxoplasma gondii	oxidoreductase, putative	0.0102	0.7451	0.5
Loa Loa (eye worm)	hypothetical protein	0.0102	0.7451	0.1796
Trypanosoma cruzi	3-ketoacyl-CoA reductase, putative	0.0102	0.7451	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0102	0.7451	0.8529
Brugia malayi	dehydrogenases, short chain protein 9	0.0102	0.7451	1
Loa Loa (eye worm)	dehydrogenase	0.0102	0.7451	0.1796
Schistosoma mansoni	short chain dehydrogenase	0.0102	0.7451	0.8529
Echinococcus multilocularis	retinol dehydrogenase 13	0.0102	0.7451	0.5181
Mycobacterium ulcerans	carveol-like dehydrogenase	0.0102	0.7451	0.5
Echinococcus granulosus	WW domain containing oxidoreductase	0.0102	0.7451	0.5181
Onchocerca volvulus		0.0102	0.7451	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0102	0.7451	0.5
Trypanosoma brucei	oxidoreductase-like protein	0.0102	0.7451	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0102	0.7451	0.8529
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0102	0.7451	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0102	0.7451	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0102	0.7451	0.5
Echinococcus granulosus	Dehydrogenase:reductase SDR family	0.0102	0.7451	0.5181
Schistosoma mansoni	short chain dehydrogenase	0.0102	0.7451	0.8529
Loa Loa (eye worm)	oxidoreductase	0.0102	0.7451	0.1796
Trypanosoma cruzi	hypothetical protein, conserved	0.0102	0.7451	0.5
Leishmania major	3-keto-dihydrosphingosine reductase	0.0102	0.7451	0.5
Trypanosoma brucei	beta-ketoacyl-ACP reductase 3, putative	0.0102	0.7451	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0102	0.7451	0.8529
Toxoplasma gondii	carbonyl reductase 1, putative	0.0102	0.7451	0.5
Brugia malayi	hypothetical protein	0.0102	0.7451	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0102	0.7451	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0102	0.7451	0.5
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0102	0.7451	0.5181
Mycobacterium ulcerans	short-chain dehydrogenase	0.0102	0.7451	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0102	0.7451	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0102	0.7451	0.8529
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0111	0.8736	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0102	0.7451	0.5
Brugia malayi	Retinol dehydrogenase 12	0.0102	0.7451	1
Schistosoma mansoni	oxidoreductase short chain dehydrogenase/reductase family	0.0102	0.7451	0.8529
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0102	0.7451	0.5
Echinococcus granulosus	carbonyl reductase 1	0.0102	0.7451	0.5181
Echinococcus multilocularis	carbonyl reductase 1	0.0102	0.7451	0.5181
Loa Loa (eye worm)	oxidoreductase	0.0102	0.7451	0.1796
Trypanosoma cruzi	short chain dehydrogenase, putative	0.0102	0.7451	0.5
Echinococcus granulosus	carbonyl reductase 1	0.0102	0.7451	0.5181
Trypanosoma cruzi	NAD(P)-dependent oxidoreductase, putative	0.0102	0.7451	0.5
Wolbachia endosymbiont of Brugia malayi	Short-chain alcohol dehydrogenase family enzyme	0.0102	0.7451	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0102	0.7451	0.8529
Toxoplasma gondii	3-ketoacyl-CoA reductase, putative	0.0102	0.7451	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0102	0.7451	1
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0102	0.7451	0.5
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 13 homolog	0.0102	0.7451	0.5
Mycobacterium ulcerans	ketoacyl reductase	0.0102	0.7451	0.5
Mycobacterium leprae	PROBABLE SHORT CHAIN ALCOHOL DEHYDROGENASE/REDUCTASE	0.0102	0.7451	0.5
Onchocerca volvulus		0.0102	0.7451	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0102	0.7451	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0102	0.7451	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0102	0.7451	0.5
Mycobacterium ulcerans	dehydrogenase	0.0102	0.7451	0.5
Trichomonas vaginalis	hydroxyacyl dehydrogenase, putative	0.0102	0.7451	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0102	0.7451	0.5
Echinococcus granulosus	hypothetical protein	0.0102	0.7451	0.5181
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0102	0.7451	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0102	0.7451	0.5
Echinococcus multilocularis	carbonyl reductase 1	0.0102	0.7451	0.5181
Echinococcus multilocularis	transient receptor potential cation channel	0.0102	0.7451	0.5181
Mycobacterium ulcerans	short chain dehydrogenase	0.0102	0.7451	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0102	0.7451	0.5
Mycobacterium tuberculosis	Decaprenylphosphoryl-D-2-keto erythro pentose reductase	0.0102	0.7451	0.5
Mycobacterium tuberculosis	Probable short chain alcohol dehydrogenase/reductase	0.0102	0.7451	0.5
Loa Loa (eye worm)	hypothetical protein	0.0102	0.7451	0.1796
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0102	0.7451	0.5
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0102	0.7451	0.5
Loa Loa (eye worm)	hypothetical protein	0.0102	0.7451	0.1796
Leishmania major	quinonoid dihydropteridine reductase	0.0102	0.7451	0.5
Loa Loa (eye worm)	oxidoreductase	0.0102	0.7451	0.1796
Echinococcus granulosus	retinol dehydrogenase 11	0.0102	0.7451	0.5181
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0102	0.7451	0.5
Brugia malayi	Dehydrogenases, short chain protein 2	0.0102	0.7451	1
Echinococcus multilocularis	conserved hypothetical protein	0.0102	0.7451	0.5181
Echinococcus granulosus	steroid dehydrogenase	0.0102	0.7451	0.5181
Mycobacterium tuberculosis	Probable oxidoreductase	0.0102	0.7451	0.5
Leishmania major	hypothetical protein, conserved	0.0102	0.7451	0.5
Loa Loa (eye worm)	hypothetical protein	0.0102	0.7451	0.1796
Mycobacterium ulcerans	short chain dehydrogenase	0.0102	0.7451	0.5
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0102	0.7451	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0102	0.7451	0.5
Schistosoma mansoni	3-keto-dihydrosphingosine reductase	0.0102	0.7451	0.8529
Mycobacterium tuberculosis	Probable dehydrogenase/reductase	0.0102	0.7451	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0102	0.7451	0.5
Schistosoma mansoni	short-chain dehydrogenase/reductase	0.0102	0.7451	0.8529
Mycobacterium tuberculosis	Possible short-chain dehydrogenase EphD	0.0102	0.7451	0.5
Loa Loa (eye worm)	hypothetical protein	0.0102	0.7451	0.1796
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0102	0.7451	0.5
Entamoeba histolytica	hypothetical protein, conserved	0.0102	0.7451	0.5
Trypanosoma cruzi	short chain dehydrogenase, putative	0.0102	0.7451	0.5
Echinococcus granulosus	retinol dehydrogenase 11	0.0102	0.7451	0.5181
Schistosoma mansoni	carbonyl reductase	0.0102	0.7451	0.8529
Mycobacterium tuberculosis	Possible multi-functional enzyme with acyl-CoA-reductase activity AcrA1	0.0102	0.7451	0.5
Schistosoma mansoni	carbonyl reductase	0.0102	0.7451	0.8529
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0102	0.7451	0.5
Echinococcus multilocularis	oxidoreductase	0.0102	0.7451	0.5181
Entamoeba histolytica	hypothetical protein	0.0102	0.7451	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0102	0.7451	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0102	0.7451	0.5
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0102	0.7451	0.5
Toxoplasma gondii	sterol carrier protein-2 HAD-2SCP-2	0.0102	0.7451	0.5
Echinococcus multilocularis	retinol dehydrogenase 11	0.0102	0.7451	0.5181
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0102	0.7451	1
Schistosoma mansoni	steroid dehydrogenase	0.0102	0.7451	0.8529
Loa Loa (eye worm)	oxidoreductase	0.0102	0.7451	0.1796
Echinococcus granulosus	oxidoreductase	0.0102	0.7451	0.5181
Trypanosoma cruzi	quinonoid dihydropteridine reductase, putative	0.0102	0.7451	0.5
Trypanosoma cruzi	3-keto-dihydrosphingosine reductase	0.0102	0.7451	0.5
Mycobacterium ulcerans	oxidoreductase	0.0102	0.7451	0.5
Mycobacterium ulcerans	dehydrogenase/reductase	0.0102	0.7451	0.5
Trypanosoma cruzi	3-ketoacyl-CoA reductase, putative	0.0102	0.7451	0.5
Brugia malayi	D-beta-hydroxybutyrate dehydrogenase, mitochondrial precursor	0.0102	0.7451	1
Giardia lamblia	Short-chain dehydrogenase, putative	0.0102	0.7451	0.5
Loa Loa (eye worm)	hypothetical protein	0.0102	0.7451	0.1796
Schistosoma mansoni	metabotropic glutamate receptor	0.0082	0.471	0.5392
Mycobacterium ulcerans	short chain dehydrogenase	0.0102	0.7451	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0102	0.7451	0.8529
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0102	0.7451	0.5
Plasmodium falciparum	oxidoreductase, short-chain dehydrogenase family, putative	0.0102	0.7451	0.5
Mycobacterium leprae	Probable short-chain type dehydrogenase/reductase	0.0102	0.7451	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0102	0.7451	0.8529
Mycobacterium tuberculosis	Probable short-chain type oxidoreductase	0.0102	0.7451	0.5
Giardia lamblia	Reductase, putative	0.0102	0.7451	0.5
Loa Loa (eye worm)	dehydrogenase	0.0102	0.7451	0.1796
Leishmania major	quinonoid dihydropteridine reductase	0.0102	0.7451	0.5
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0102	0.7451	0.5181
Trypanosoma cruzi	hypothetical protein, conserved	0.0102	0.7451	0.5
Mycobacterium tuberculosis	Probable dehydrogenase/reductase	0.0102	0.7451	0.5
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 13 homolog	0.0102	0.7451	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0102	0.7451	0.5
Leishmania major	oxidoreductase-like protein	0.0102	0.7451	0.5
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0098	0.6893	0.9251
Entamoeba histolytica	3-ketodihydrosphingosine reductase protein, putative	0.0102	0.7451	0.5
Onchocerca volvulus		0.0102	0.7451	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0102	0.7451	0.5
Schistosoma mansoni	carbonyl reductase	0.0102	0.7451	0.8529
Mycobacterium tuberculosis	Probable shortchain dehydrogenase	0.0102	0.7451	0.5
Leishmania major	hypothetical protein, conserved	0.0102	0.7451	0.5
Plasmodium vivax	steroid dehydrogenase, putative	0.0102	0.7451	0.5
Leishmania major	short chain dehydrogenase/reductase, putative	0.0102	0.7451	0.5
Entamoeba histolytica	short chain dehydrogenase family protein	0.0102	0.7451	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0102	0.7451	0.8529
Giardia lamblia	Oxidoreductase, short chain dehydrogenase/reductase family	0.0102	0.7451	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0102	0.7451	0.8529
Leishmania major	quinonoid dihydropteridine reductase	0.0102	0.7451	0.5
Brugia malayi	oxidoreductase	0.0102	0.7451	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0102	0.7451	0.5
Trichomonas vaginalis	steroid dehydrogenase, putative	0.0102	0.7451	0.5
Trichomonas vaginalis	short-chain dehydrogenases/reductase, putative	0.0102	0.7451	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0102	0.7451	0.5
Plasmodium falciparum	steroid dehydrogenase, putative	0.0102	0.7451	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
CL (ADMET)	= 10.5 ml/min.kg	Intrinsic clearance in human liver microsomes	ChEMBL.	24392688
IC50 (binding)	= 10.7 nM	Negative allosteric modulation of rat mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced calcium flux after 16 to 24 hrs by FLIPR assay	ChEMBL.	24392688
Ki (binding)	= 6.5 nM	Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis	ChEMBL.	24392688

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: CHEMBL3122214

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1832121