TDR Targets

Basic information

Technical information

TDR Targets ID: 329231
Name: 3-(1-pyridin-2-yl-1,2,4-triazol-3-yl)benzonit rile
MW: 247.255 | Formula: C14H9N5
H donors: 0 H acceptors: 4 LogP: 2.31 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1cccc(c1)c1ncn(n1)c1ccccn1
InChi: 1S/C14H9N5/c15-9-11-4-3-5-12(8-11)14-17-10-19(18-14)13-6-1-2-7-16-13/h1-8,10H
InChiKey: WCSKMYJKMYMTMV-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-[1-(2-pyridyl)-1,2,4-triazol-3-yl]benzonitrile
3-(1-pyridin-2-yl-1,2,4-triazol-3-yl)benzenecarbonitrile

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
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	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
Schistosoma japonicum	ko:K04606 glutamate receptor, metabotropic 3, putative	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
Schistosoma japonicum	Metabotropic glutamate receptor precursor, putative	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
Schistosoma mansoni	metabotropic glutamate receptor	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
Echinococcus multilocularis	metabotropic glutamate receptor 2	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
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	Get druggable targets OG5_127095	All targets in OG5_127095
Schistosoma japonicum	hypothetical protein	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
Echinococcus multilocularis	serine protein kinase ATM	0.005	0.0134	0.0176
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0153	0.1955	0.2721
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0092	0.0866	0.2348
Schistosoma mansoni	fkbp-rapamycin associated protein	0.005	0.0134	0.0139
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0163	0.2142	0.2982
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.005	0.0134	0.0353
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0103	0.1069	0.2989
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0117	0.131	0.3601
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0126	0.1483	0.4146
Echinococcus granulosus	metabotropic glutamate receptor 5	0.012	0.1378	0.1915
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0132	0.1578	0.4412
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0126	0.1483	0.4146
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0068	0.0456	0.0592
Loa Loa (eye worm)	phosphatidylinositol 3	0.007	0.0482	0.0751
Plasmodium falciparum	peptidyl-prolyl cis-trans isomerase FKBP35	0.0063	0.0362	0.0329
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-12	0.0063	0.0362	0.0561
Schistosoma mansoni	immunophilin	0.0054	0.0208	0.0243
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0092	0.0866	0.2423
Echinococcus multilocularis	Zinc finger, PHD finger	0.0045	0.0035	0.0038
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0093	0.0886	0.2476
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0045	0.0035	0.0038
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0244	0.3577	1
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.005	0.0134	0.0176
Loa Loa (eye worm)	phosphatidylinositol 3	0.0153	0.1955	0.3079
Schistosoma mansoni	immunophilin FK506 binding protein FKBP12	0.0063	0.0362	0.046
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0153	0.1955	0.5465
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0076	0.0599	0.2937
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0093	0.0886	0.2476
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0092	0.0866	0.2348
Giardia lamblia	GTOR	0.0153	0.1955	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0244	0.3577	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0084	0.0731	0.2043
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0092	0.0866	0.4332
Plasmodium falciparum	holo-[acyl-carrier-protein] synthase, putative	0.0606	1	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0045	0.0035	0.0097
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0092	0.0866	0.2406
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0063	0.0362	0.0925
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.007	0.0482	0.1264
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0092	0.0866	0.1167
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.005	0.0134	0.0279
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0097	0.0954	0.4788
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0143	0.1777	0.4918
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0132	0.1579	0.8046
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0045	0.0035	0.0038
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0143	0.1777	0.4918
Schistosoma mansoni	voltage-gated potassium channel	0.0047	0.0078	0.0061
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12	0.0063	0.0362	0.0994
Leishmania major	phosphopantetheinyl transferase-like protein	0.012	0.1365	0.6929
Echinococcus multilocularis	L aminoadipate semialdehyde	0.012	0.1365	0.1897
Mycobacterium tuberculosis	holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie	0.0606	1	0.5
Entamoeba histolytica	protein kinase rad3, putative	0.005	0.0134	0.0279
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0244	0.3577	1
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type, putative	0.0063	0.0362	0.0925
Loa Loa (eye worm)	phosphatidylinositol 3	0.0399	0.6332	1
Loa Loa (eye worm)	hypothetical protein	0.0163	0.2142	0.3375
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0045	0.0035	0.0076
Mycobacterium ulcerans	phosphopantetheinyl transferase, PptII	0.012	0.1365	0.104
Trichomonas vaginalis	fk506-binding protein, putative	0.0063	0.0362	0.1013
Loa Loa (eye worm)	phosphatidylinositol 3	0.0097	0.0954	0.1496
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0045	0.0035	0.0097
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0172	0.2301	0.6434
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0197	0.2745	0.7652
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0063	0.0362	0.0496
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0153	0.1955	0.5465
Brugia malayi	metabotropic glutamate receptor type 2	0.0048	0.0087	0.0222
Schistosoma mansoni	voltage-gated potassium channel	0.0047	0.0078	0.0061
Plasmodium vivax	70 kDa peptidylprolyl isomerase, putative	0.0063	0.0362	0.0329
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0063	0.0362	0.0925
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0055	0.0222	0.1293
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0092	0.0866	0.2423
Trypanosoma cruzi	hypothetical protein, conserved	0.0106	0.1128	0.3088
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0105	0.1106	0.3093
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0063	0.0362	0.0925
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0084	0.0731	0.3626
Schistosoma mansoni	metabotropic glutamate receptor	0.0082	0.0695	0.0926
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0082	0.0695	0.0961
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0163	0.2142	0.598
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.012	0.1365	0.3804
Leishmania major	hypothetical protein, conserved	0.0128	0.1512	0.7697
Trypanosoma brucei	hypothetical protein, conserved	0.012	0.1365	0.6929
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0082	0.0695	0.0961
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0132	0.1578	0.4412
Onchocerca volvulus		0.012	0.1365	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0093	0.0886	0.2476
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0153	0.1955	1
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.0322	0.495	0.6906
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0063	0.0362	0.1013
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0045	0.0035	0.0043
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0153	0.1955	0.5421
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0084	0.0731	0.2043
Mycobacterium ulcerans	4'-phosphopantetheinyl transferase	0.0606	1	1
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0153	0.1955	0.2693
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0244	0.3577	1
Plasmodium vivax	holo-[acyl-carrier-protein] synthase, putative	0.0606	1	1
Entamoeba histolytica	hypothetical protein	0.005	0.0134	0.0279
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0675	0.1056
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0126	0.1469	0.6953
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0054	0.0208	0.028
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP1A	0.0063	0.0362	0.0496
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0126	0.1483	1
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.005	0.0134	0.0516
Trypanosoma cruzi	target of rapamycin kinase 3	0.0132	0.1579	0.4361
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0105	0.1106	0.3093
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0097	0.0954	0.2667
Toxoplasma gondii	FATC domain-containing protein	0.005	0.0134	0.0683
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0208	0.0317
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0244	0.3577	1
Trypanosoma brucei	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0063	0.0362	0.1706
Trichomonas vaginalis	PIKK family atypical protein kinase	0.005	0.0134	0.0374
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0153	0.1955	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0134	0.0199
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0111	0.1203	0.3363
Wolbachia endosymbiont of Brugia malayi	4'-phosphopantetheinyl transferase	0.0606	1	0.5
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0153	0.1955	1
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0446	0.7163	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0126	0.1483	0.4146
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0153	0.1955	0.2721
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0105	0.1108	0.3097
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0126	0.1483	0.4146
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0153	0.1955	0.5421
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.012	0.1365	0.1866
Echinococcus granulosus	L aminoadipate semialdehyde	0.012	0.1365	0.1897
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0105	0.1108	0.3097
Schistosoma mansoni	metabotropic glutamate receptor	0.0048	0.0087	0.0073
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type , putative	0.0063	0.0362	0.0925
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.005	0.0134	0.0279
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0143	0.1777	0.2472
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0163	0.2142	0.2982
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0084	0.0731	0.2043
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0063	0.0357	0.0998
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59	0.0063	0.0362	0.0994
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0446	0.7163	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0105	0.1108	0.3097
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0054	0.0208	0.028
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.1358	0.3796
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0126	0.1483	0.4146
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0092	0.0866	0.2348
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0063	0.0362	0.0496
Loa Loa (eye worm)	glutamate receptor	0.0098	0.0977	0.1532
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.012	0.1378	0.1915
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0063	0.0362	0.0925
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0063	0.0362	0.1013
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0098	0.0981	0.2742
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0084	0.0731	0.3626
Trichomonas vaginalis	PIKK family atypical protein kinase	0.005	0.0134	0.0374
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.005	0.0134	0.0176
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0132	0.1579	0.8046
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0143	0.1777	0.2472
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0045	0.0035	0.0038
Toxoplasma gondii	4'-phosphopantetheinyl transferase superfamily protein	0.012	0.1365	0.9187
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0098	0.0977	0.2716
Loa Loa (eye worm)	FKBP5 protein	0.0063	0.0362	0.0561
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0153	0.1955	0.5456
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0105	0.1108	0.3097
Entamoeba histolytica	hypothetical protein	0.012	0.1365	0.3756
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0153	0.1955	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0084	0.0731	0.2043
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0063	0.0357	0.0909
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase, putative	0.0063	0.0362	0.1706
Schistosoma mansoni	immunophilin	0.0063	0.0362	0.046
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0111	0.1215	0.1655
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0143	0.1777	0.4956
Treponema pallidum	4'-phosphopantetheinyl transferase	0.0606	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0132	0.1578	0.4412
Mycobacterium leprae	HOLO-[ACYL-CARRIER PROTEIN] SYNTHASE ACPS (HOLO-ACP SYNTHASE) (CoA:APO-[ACP]PANTETHEINEPHOSPHOTRANSFERASE) (CoA:APO-[ACYL-CARRIE	0.0486	0.7876	1
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0223	0.3192	0.8916
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0132	0.1578	0.4412
Loa Loa (eye worm)	hypothetical protein	0.012	0.1378	0.2167
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0111	0.1203	0.3363
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0244	0.3577	1
Trichomonas vaginalis	conserved hypothetical protein	0.0055	0.0222	0.062
Schistosoma mansoni	immunophilin	0.0063	0.0362	0.046
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.005	0.0134	0.0353
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0105	0.1106	0.3093
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0244	0.3577	1
Leishmania major	fk506-binding protein 1-like protein	0.0063	0.0362	0.1706
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.005	0.0134	0.0139
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0126	0.1483	0.4146
Leishmania major	peptidylprolyl isomerase-like protein	0.0063	0.0362	0.1706
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0153	0.1955	0.5465
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0153	0.1955	0.5421
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0092	0.0866	0.2423
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0143	0.1777	0.2443
Echinococcus multilocularis	fk506 binding protein	0.0063	0.0362	0.0496
Entamoeba histolytica	hypothetical protein	0.0197	0.2745	0.7652
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0172	0.2301	0.6434
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0222	0.0339
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0446	0.7163	1
Loa Loa (eye worm)	hypothetical protein	0.012	0.1365	0.2146
Echinococcus granulosus	serine protein kinase ATM	0.005	0.0134	0.0176
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0126	0.1483	0.4146
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0132	0.1578	0.4412
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0153	0.1955	0.5421
Trichomonas vaginalis	immunophilin, putative	0.0063	0.0362	0.1013
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0064	0.0377	0.1782
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0045	0.0035	0.0097
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0322	0.495	0.6906
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0097	0.0954	0.4788
Toxoplasma gondii	4'-phosphopantetheinyl transferase domain-containing protein	0.012	0.1365	0.9187
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0089	0.0814	0.2258
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0202	0.2828	0.7902

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 6.15 uM	Inhibitory concentration towards human glutamate receptor 5 in calcium flux assay	ChEMBL.	15341479
IC50 (functional)	= 6.15 uM	Inhibitory concentration towards human glutamate receptor 5 in calcium flux assay	ChEMBL.	15341479
Ki (binding)	> 0.6 uM	Displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from glutamate 5 receptor of rat cortical membranes	ChEMBL.	15341479
Ki (binding)	> 0.6 uM	Displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from glutamate 5 receptor of rat cortical membranes	ChEMBL.	15341479

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: CHEMBL189572
PubChem: 10192780

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 329231