TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 365.426 | Formula: C21H23N3O3
H donors: 2 H acceptors: 2 LogP: 2.37 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C1N[C@@H]2C[C@H](CN2C(=O)[C@@H](N1)Cc1ccccc1)OCc1ccccc1
InChi: 1S/C21H23N3O3/c25-20-18(11-15-7-3-1-4-8-15)22-21(26)23-19-12-17(13-24(19)20)27-14-16-9-5-2-6-10-16/h1-10,17-19H,11-14H2,(H2,22,23,26)/t17-,18+,19+/m1/s1
InChiKey: DGQTYAJMXAQQRM-QYZOEREBSA-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
Toxoplasma gondii	Purine nucleoside phosphorylase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Toxoplasma gondii	Purine nucleoside phosphorylase	Get druggable targets OG5_130516	All targets in OG5_130516
Plasmodium falciparum	purine nucleoside phosphorylase	Get druggable targets OG5_130516	All targets in OG5_130516
Theileria parva	purine nucleoside phosphorylase, putative	Get druggable targets OG5_130516	All targets in OG5_130516
Neospora caninum	hypothetical protein	Get druggable targets OG5_130516	All targets in OG5_130516
Entamoeba histolytica	purine nucleoside phosphorylase, putative	Get druggable targets OG5_130516	All targets in OG5_130516
Treponema pallidum	uridine phosphorylase (udp)	Get druggable targets OG5_130516	All targets in OG5_130516
Plasmodium vivax	purine nucleoside phosphorylase, putative	Get druggable targets OG5_130516	All targets in OG5_130516
Plasmodium yoelii	purine nucleoside phosphorylase	Get druggable targets OG5_130516	All targets in OG5_130516
Plasmodium berghei	purine nucleoside phosphorylase, putative	Get druggable targets OG5_130516	All targets in OG5_130516
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	Get druggable targets OG5_130516	All targets in OG5_130516
Theileria parva	purine nucleoside phosphorylase, putative	Get druggable targets OG5_130516	All targets in OG5_130516
Babesia bovis	phosphorylase family protein	Get druggable targets OG5_130516	All targets in OG5_130516
Plasmodium knowlesi	purine nucleoside phosphorylase, putative	Get druggable targets OG5_130516	All targets in OG5_130516
Entamoeba histolytica	purine nucleoside phosphorylase, putative	Get druggable targets OG5_130516	All targets in OG5_130516
Theileria parva	purine nucleoside phosphorylase, putative	Get druggable targets OG5_130516	All targets in OG5_130516
Treponema pallidum	purine nucleoside phosphorylase (deoD)	Get druggable targets OG5_130516	All targets in OG5_130516
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	Get druggable targets OG5_130516	All targets in OG5_130516

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
Entamoeba histolytica	cysteine protease, putative	0.0153	0.1081	0.4054
Trypanosoma cruzi	cysteine peptidase, putative	0.0274	0.2278	0.2504
Brugia malayi	Papain family cysteine protease containing protein	0.0071	0.0265	0.0089
Brugia malayi	cathepsin F-like cysteine proteinase	0.0071	0.0265	0.0089
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.0264	0.2184	0.1971
Entamoeba histolytica	cysteine proteinase, putative	0.0274	0.2278	1
Echinococcus granulosus	glutamate NMDA receptor subunit	0.0074	0.0297	0.0033
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0274	0.2278	0.7556
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0068	0.0238	0.1592
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0153	0.1081	0.1015
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0153	0.1081	0.3282
Onchocerca volvulus		0.0274	0.2278	1
Brugia malayi	Papain family cysteine protease containing protein	0.0153	0.1081	0.1095
Entamoeba histolytica	cysteine proteinase 1, putative	0.0153	0.1081	0.4054
Brugia malayi	cathepsin L-like cysteine proteinase	0.0071	0.0265	0.0089
Entamoeba histolytica	cysteine protease, putative	0.0153	0.1081	0.4054
Echinococcus multilocularis	glutamate receptor ionotropic kainate	0.0074	0.0297	0.0033
Entamoeba histolytica	cysteine proteinase, putative	0.0274	0.2278	1
Brugia malayi	Cathepsin L-like precursor	0.0274	0.2278	0.257
Onchocerca volvulus		0.0274	0.2278	1
Plasmodium vivax	unspecified product	0.0082	0.0377	0.0556
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0072	0.028	0.1883
Loa Loa (eye worm)	glutamate receptor 1	0.0074	0.0297	0.0128
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.018	0.1343	0.4334
Trypanosoma cruzi	cysteine peptidase, putative	0.0153	0.1081	0.1015
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0113	0.0682	0.0506
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0126	0.0813	0.2203
Toxoplasma gondii	cathepsin B	0.0322	0.2752	1
Echinococcus granulosus	nmda type glutamate receptor	0.0826	0.7755	0.7693
Onchocerca volvulus		0.0192	0.1462	0.6086
Toxoplasma gondii	eukaryotic initiation factor-4A, putative	0.0126	0.0813	0.2955
Toxoplasma gondii	cathepsin CPC1	0.0071	0.0265	0.0964
Brugia malayi	Cathepsin L-like precursor	0.0274	0.2278	0.257
Echinococcus granulosus	cysteine protease	0.0153	0.1081	0.0838
Schistosoma mansoni	cathepsin F (C01 family)	0.0274	0.2278	0.2447
Brugia malayi	Glutamate receptor 1 precursor	0.0074	0.0297	0.0128
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0274	0.2278	0.8095
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0274	0.2278	0.7556
Giardia lamblia	Cathepsin B precursor	0.0322	0.2752	1
Toxoplasma gondii	preprocathepsin c precursor, putative	0.0071	0.0265	0.0964
Leishmania major	cathepsin L-like protease	0.0274	0.2278	0.7556
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0322	0.2752	1
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0377	0.0227
Brugia malayi	cathepsin B-like cysteine proteinase	0.0881	0.8304	1
Treponema pallidum	amino acid ABC transporter, periplasmic binding protein	0.019	0.1448	1
Echinococcus multilocularis	cathepsin b	0.0881	0.8304	0.8258
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0265	0.0089
Entamoeba histolytica	cysteine proteinase, putative	0.0153	0.1081	0.4054
Onchocerca volvulus		0.0086	0.0414	0.1057
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB	0.0055	0.0105	0.172
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0153	0.1081	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0128	0.0835	0.0792
Brugia malayi	oxidoreductase, zinc-binding dehydrogenase family protein	0.0129	0.0843	0.0801
Giardia lamblia	Cathepsin B precursor	0.0322	0.2752	1
Loa Loa (eye worm)	ctsf protein	0.0274	0.2278	0.257
Onchocerca volvulus	Fatty acid synthase homolog	0.0123	0.078	0.2817
Brugia malayi	Cathepsin L-like precursor	0.0274	0.2278	0.257
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0071	0.0265	0.0089
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0274	0.2278	0.2067
Mycobacterium leprae	Probable polyketide synthase Pks1	0.0072	0.028	0.481
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0153	0.1081	0.0992
Echinococcus multilocularis	glutamate receptor 2	0.0112	0.0675	0.042
Echinococcus multilocularis	calpain family protein 1, d	0.008	0.035	0.0087
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0274	0.2278	0.7556
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD	0.0068	0.0238	0.4065
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0274	0.2278	0.8095
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0274	0.2278	0.8095
Brugia malayi	calpain family protein 1	0.0108	0.0633	0.0543
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0229	0.0044
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0274	0.2278	0.8095
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0112	0.0675	0.042
Schistosoma mansoni	glutamate receptor AMPA	0.0074	0.0297	0.0039
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0071	0.0265	0.0089
Echinococcus multilocularis	eukaryotic initiation factor 4A III	0.0126	0.0813	0.0563
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0322	0.2752	0.3023
Brugia malayi	cathepsin L-like precursor	0.0192	0.1462	0.1564
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0265	0.0089
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0055	0.0105	0.0673
Brugia malayi	Cathepsin L-like precursor	0.0192	0.1462	0.1564
Echinococcus multilocularis	eukaryotic initiation factor 4A	0.0126	0.0813	0.0563
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0274	0.2278	1
Entamoeba histolytica	cysteine protease, putative	0.0153	0.1081	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0274	0.2278	1
Onchocerca volvulus	Cathepsin L homolog	0.0071	0.0265	0.0346
Echinococcus multilocularis	Ribosomal protein S1, RNA binding domain	0.0074	0.0297	0.0033
Mycobacterium tuberculosis	Probable polyketide synthase Pks7	0.0072	0.028	0.166
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0377	0.0227
Onchocerca volvulus		0.0128	0.0835	0.3081
Loa Loa (eye worm)	glutamate receptor 2	0.0074	0.0297	0.0128
Brugia malayi	Papain family cysteine protease containing protein	0.0071	0.0265	0.0089
Brugia malayi	Cathepsin L-like precursor	0.0274	0.2278	0.257
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0274	0.2278	0.7556
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0274	0.2278	0.8095
Brugia malayi	Trypsin family protein	0.0128	0.0835	0.0792
Treponema pallidum	amino acid ABC transporter, periplasmic binding protein (hisJ)	0.019	0.1448	1
Toxoplasma gondii	cathepsin CPL	0.0274	0.2278	0.8278
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0068	0.0238	0.1592
Plasmodium falciparum	eukaryotic initiation factor 4A	0.0126	0.0813	0.2722
Trypanosoma cruzi	cruzipain precursor, putative	0.0082	0.0377	0.0139
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0128	0.0835	0.0693
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0082	0.0377	0.0227
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0265	0.0089
Echinococcus granulosus	glutamate receptor subunit protein glur	0.0074	0.0297	0.0033
Brugia malayi	Papain family cysteine protease containing protein	0.0071	0.0265	0.0089
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0274	0.2278	0.8095
Brugia malayi	Cathepsin L-like precursor	0.0082	0.0377	0.0227
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0068	0.0238	0.136
Entamoeba histolytica	cysteine protease, putative	0.0153	0.1081	0.4054
Leishmania major	cathepsin L-like protease	0.0274	0.2278	0.7556
Mycobacterium leprae	PROBABLE THIOESTERASE TESA	0.0057	0.0125	0.2064
Echinococcus granulosus	cathepsin b	0.0881	0.8304	0.8258
Loa Loa (eye worm)	fatty acid synthase	0.0067	0.0229	0.0044
Toxoplasma gondii	type I fatty acid synthase, putative	0.0049	0.0043	0.0155
Brugia malayi	cathepsin L precursor	0.0071	0.0265	0.0089
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsB	0.0055	0.0105	0.0673
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0068	0.0238	0.1592
Loa Loa (eye worm)	cathepsin B	0.0322	0.2752	0.3154
Entamoeba histolytica	DEAD/DEAH box helicase, putative	0.0126	0.0813	0.2722
Entamoeba histolytica	cysteine proteinase 2	0.0153	0.1081	0.4054
Schistosoma mansoni	cathepsin s	0.0082	0.0377	0.0136
Mycobacterium tuberculosis	Polyketide synthase Pks13	0.0102	0.0572	0.3748
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0322	0.2752	1
Brugia malayi	Cathepsin L-like precursor	0.0192	0.1462	0.1564
Schistosoma mansoni	glutamate receptor kainate	0.0074	0.0297	0.0039
Loa Loa (eye worm)	hypothetical protein	0.0881	0.8304	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0274	0.2278	0.7556
Trypanosoma cruzi	cysteine peptidase, putative	0.0274	0.2278	0.2504
Loa Loa (eye worm)	fibroinase	0.0274	0.2278	0.257
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0274	0.2278	0.2067
Mycobacterium tuberculosis	Probable polyketide synthase Pks5	0.0066	0.0217	0.1212
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0274	0.2278	0.257
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0126	0.0813	0.0681
Onchocerca volvulus	Cathepsin F homolog	0.0274	0.2278	1
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.018	0.1343	0.5354
Chlamydia trachomatis	glutamine binding protein	0.019	0.1448	0.5
Plasmodium vivax	unspecified product	0.0153	0.1081	0.4054
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0128	0.0835	0.0693
Trypanosoma cruzi	cysteine proteinase, putative	0.0153	0.1081	0.1015
Echinococcus multilocularis	glutamate receptor 2	0.0074	0.0297	0.0033
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0071	0.0265	0.0089
Echinococcus granulosus	glutamate receptor ionotropic kainate	0.0074	0.0297	0.0033
Entamoeba histolytica	cysteine protease, putative	0.0153	0.1081	0.4054
Echinococcus multilocularis	cathepsin L	0.0153	0.1081	0.0838
Entamoeba histolytica	cysteine protease, putative	0.0153	0.1081	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0274	0.2278	0.7556
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0881	0.8304	0.9773
Mycobacterium tuberculosis	Probable glutamine-binding lipoprotein GlnH (GLNBP)	0.019	0.1448	1
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0113	0.0682	0.0428
Loa Loa (eye worm)	hypothetical protein	0.0192	0.1462	0.1564
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0274	0.2278	0.7556
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0274	0.2278	0.8095
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0071	0.0265	0.0089
Trypanosoma cruzi	cysteine proteinase, putative	0.0153	0.1081	0.1015
Loa Loa (eye worm)	hypothetical protein	0.0128	0.0835	0.0792
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.018	0.1343	0.4334
Toxoplasma gondii	Purine nucleoside phosphorylase	0.018	0.1343	0.488
Giardia lamblia	Cathepsin B precursor	0.0322	0.2752	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0192	0.1462	0.4813
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0265	0.0089
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0274	0.2278	0.8095
Mycobacterium ulcerans	thioesterase TesA	0.0057	0.0125	0.0808
Loa Loa (eye worm)	hypothetical protein	0.0126	0.0813	0.0764
Echinococcus multilocularis	cysteine protease	0.0274	0.2278	0.2067
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0274	0.2278	0.8095
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0113	0.0682	0.0506
Echinococcus multilocularis	nmda type glutamate receptor	0.1052	1	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0274	0.2278	0.2067
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0274	0.2278	0.8095
Onchocerca volvulus		0.0119	0.0738	0.2615
Schistosoma mansoni	glutamate receptor NMDA	0.09	0.8491	1
Onchocerca volvulus		0.0067	0.0229	0.0172
Mycobacterium tuberculosis	Polyketide synthase Pks12	0.0072	0.028	0.166
Loa Loa (eye worm)	calpain family protein 1	0.0108	0.0633	0.0543
Plasmodium vivax	vivapain-3	0.0153	0.1081	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0153	0.1081	0.3282
Brugia malayi	Glutamate receptor 2 precursor	0.0074	0.0297	0.0128
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0192	0.1462	0.1489
Plasmodium falciparum	purine nucleoside phosphorylase	0.018	0.1343	0.5354
Entamoeba histolytica	cysteine proteinase, putative	0.0153	0.1081	0.4054
Plasmodium vivax	purine nucleoside phosphorylase, putative	0.018	0.1343	0.5354
Mycobacterium tuberculosis	Probable membrane bound polyketide synthase Pks6	0.0102	0.0572	0.3748
Schistosoma mansoni	glutamate receptor kainate	0.0074	0.0297	0.0039
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0064	0.0193	0.1043
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0082	0.0377	0.0227
Mycobacterium ulcerans	glutamine-binding lipoprotein GlnH	0.019	0.1448	1
Entamoeba histolytica	cysteine protease, putative	0.0153	0.1081	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0153	0.1081	0.4054
Mycobacterium tuberculosis	Polyketide synthase Pks2	0.0066	0.0217	0.1212
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0274	0.2278	0.7556
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0697	0.0622
Echinococcus granulosus	calpain A	0.0113	0.0682	0.0428
Echinococcus granulosus	Ribosomal protein S1 RNA binding domain	0.0074	0.0297	0.0033
Plasmodium vivax	vivapain-2	0.0274	0.2278	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0274	0.2278	0.7556
Echinococcus multilocularis	glutamate receptor subunit protein glur	0.0074	0.0297	0.0033
Mycobacterium tuberculosis	Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog)	0.0126	0.0813	0.5469
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0192	0.1462	0.4813
Entamoeba histolytica	cysteine proteinase, putative	0.0192	0.1462	0.5946
Schistosoma mansoni	glutamate receptor kainate	0.0074	0.0297	0.0039
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0126	0.0813	0.2203
Brugia malayi	Papain family cysteine protease containing protein	0.0153	0.1081	0.1095
Echinococcus multilocularis	nmda type glutamate receptor	0.0826	0.7755	0.7693
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0274	0.2278	0.8095
Echinococcus multilocularis	cathepsin L cysteine protease	0.0274	0.2278	0.2067
Leishmania major	cathepsin L-like protease	0.0274	0.2278	0.7556
Loa Loa (eye worm)	hypothetical protein	0.0274	0.2278	0.257
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0274	0.2278	0.8095
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0112	0.0675	0.042
Leishmania major	cathepsin L-like protease	0.0274	0.2278	0.7556
Brugia malayi	calpain family protein 1	0.0108	0.0633	0.0543
Echinococcus granulosus	eukaryotic initiation factor 4A	0.0126	0.0813	0.0563
Trypanosoma cruzi	cysteine peptidase, putative	0.0274	0.2278	0.2504
Loa Loa (eye worm)	hypothetical protein	0.0192	0.1462	0.1564
Toxoplasma gondii	type I fatty acid synthase, putative	0.0072	0.028	0.1016
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0274	0.2278	0.8095
Plasmodium vivax	vivapain-1	0.0153	0.1081	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0265	0.0089
Schistosoma mansoni	ATP-binding cassette transporter	0.0074	0.0297	0.0039
Schistosoma mansoni	glutamate receptor NMDA	0.0074	0.0297	0.0039
Giardia lamblia	Translation initiation factor eIF-4A, putative	0.0126	0.0813	0.2203
Onchocerca volvulus		0.0071	0.0265	0.0346
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0274	0.2278	0.257
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0512	0.0393
Loa Loa (eye worm)	hypothetical protein	0.008	0.035	0.0194
Echinococcus granulosus	cathepsin l1	0.0274	0.2278	0.2067
Trypanosoma cruzi	cysteine protease, putative	0.0153	0.1081	0.1015
Onchocerca volvulus		0.0274	0.2278	1
Plasmodium vivax	vivapain-2	0.0274	0.2278	1
Onchocerca volvulus	Eukaryotic initiation factor 4A homolog	0.0126	0.0813	0.2974
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0274	0.2278	0.7556
Leishmania major	cathepsin L-like protease	0.0274	0.2278	0.7556
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0274	0.2278	0.8095
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0126	0.0813	0.2203
Onchocerca volvulus	Cathepsin L homolog	0.0274	0.2278	1
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	0.0074	0.0297	0.0033
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0274	0.2278	0.8095
Leishmania major	cathepsin L-like protease	0.0274	0.2278	0.7556
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0274	0.2278	0.2067
Mycobacterium ulcerans	polyketide synthase Pks13	0.0102	0.0572	0.3915
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0274	0.2278	0.8095
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0274	0.2278	0.8095
Entamoeba histolytica	cysteine proteinase, putative	0.0153	0.1081	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0274	0.2278	0.8095
Onchocerca volvulus		0.0274	0.2278	1
Toxoplasma gondii	cathepsin CPC2	0.0071	0.0265	0.0964
Chlamydia trachomatis	arginine ABC transporter substrate-binding protein ArtJ	0.019	0.1448	0.5
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0112	0.0675	0.042
Trypanosoma cruzi	cysteine peptidase, putative	0.0082	0.0377	0.0139
Echinococcus granulosus	glutamate receptor 2	0.0112	0.0675	0.042
Echinococcus granulosus	cathepsin L	0.0153	0.1081	0.0838
Echinococcus granulosus	glutamate receptor NMDA	0.0788	0.7377	0.7306
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0126	0.0813	0.0681
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA	0.0068	0.0238	0.4065
Echinococcus multilocularis	cysteine protease	0.0274	0.2278	0.2067
Leishmania major	cysteine peptidase A (CPA)	0.0274	0.2278	0.7556
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0274	0.2278	0.8095
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0071	0.0265	0.0089
Mycobacterium ulcerans	multifunctional mycocerosic acid synthase membrane-associated Mas	0.0072	0.028	0.1883
Echinococcus multilocularis	cathepsin b	0.0881	0.8304	0.8258
Treponema pallidum	uridine phosphorylase (udp)	0.018	0.1343	0.8345
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0274	0.2278	0.8095
Trypanosoma cruzi	cruzipain precursor, putative	0.0274	0.2278	0.2504
Mycobacterium ulcerans	polyketide synthase	0.0068	0.0238	0.1592
Mycobacterium ulcerans	thioesterase	0.0057	0.0125	0.0808
Brugia malayi	eukaryotic initiation factor 4A	0.0126	0.0813	0.0764
Treponema pallidum	purine nucleoside phosphorylase (deoD)	0.018	0.1343	0.8345
Onchocerca volvulus		0.0274	0.2278	1
Echinococcus granulosus	cathepsin l1	0.0192	0.1462	0.1229
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0153	0.1081	0.1383
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0881	0.8304	0.9773
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0112	0.0675	0.042
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0274	0.2278	1
Mycobacterium ulcerans	polyketide synthase	0.0072	0.028	0.1883
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0068	0.0238	0.136
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0112	0.0675	0.042
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0322	0.2752	1
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.018	0.1343	0.5354
Mycobacterium leprae	Polyketide synthase Pks13	0.0102	0.0572	1
Onchocerca volvulus		0.0274	0.2278	1
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0112	0.0675	0.042
Echinococcus multilocularis	cathepsin L cysteine protease	0.0274	0.2278	0.2067
Mycobacterium tuberculosis	Probable thioesterase TesA	0.0057	0.0125	0.0555
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0108	0.0633	0.0447
Echinococcus granulosus	cathepsin L cysteine protease	0.0153	0.1081	0.0838
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0068	0.0238	0.136
Entamoeba histolytica	cysteine protease, putative	0.0153	0.1081	0.4054
Echinococcus granulosus	cathepsin b	0.0881	0.8304	0.8258
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0153	0.1081	0.0992
Echinococcus multilocularis	calpain A	0.0113	0.0682	0.0428
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0881	0.8304	0.9773
Loa Loa (eye worm)	hypothetical protein	0.0192	0.1462	0.1564
Leishmania major	cathepsin L-like protease	0.0274	0.2278	0.7556
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0265	0.0089
Brugia malayi	Beta-ketoacyl synthase, N-terminal domain containing protein	0.0068	0.0238	0.0055
Brugia malayi	fibroinase precursor	0.0071	0.0265	0.0089
Schistosoma mansoni	glutamate receptor AMPA	0.0074	0.0297	0.0039
Entamoeba histolytica	cysteine protease, putative	0.0153	0.1081	0.4054
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0192	0.1462	0.1564
Onchocerca volvulus	Cathepsin L homolog	0.0274	0.2278	1
Echinococcus multilocularis	glutamate receptor NMDA	0.0788	0.7377	0.7306
Entamoeba histolytica	cysteine protease, putative	0.0153	0.1081	0.4054
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0126	0.0813	0.0666
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0274	0.2278	1
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0377	0.0227
Entamoeba histolytica	cysteine protease, putative	0.0153	0.1081	0.4054
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC	0.0072	0.028	0.481
Onchocerca volvulus		0.0274	0.2278	1
Entamoeba histolytica	cysteine protease, putative	0.0153	0.1081	0.4054
Loa Loa (eye worm)	calpain family protein 1	0.008	0.035	0.0194
Mycobacterium tuberculosis	Probable polyketide synthase Pks8	0.0056	0.0114	0.048
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0112	0.0675	0.042
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0274	0.2278	0.7556
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0274	0.2278	0.8095
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0274	0.2278	0.8095
Leishmania major	cathepsin L-like protease	0.0274	0.2278	0.7556
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0126	0.0813	0.0666
Mycobacterium leprae	Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas	0.0072	0.028	0.481
Brugia malayi	Cathepsin L-like precursor	0.0274	0.2278	0.257
Schistosoma mansoni	cathepsin F (C01 family)	0.0274	0.2278	0.2447
Echinococcus multilocularis	NMDA receptor	0.0074	0.0297	0.0033
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0881	0.8304	0.9773
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0881	0.8304	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0274	0.2278	0.2504
Entamoeba histolytica	cysteine proteinase, putative	0.0153	0.1081	0.4054
Echinococcus granulosus	glutamate receptor ionotropic kainate 3	0.0074	0.0297	0.0033
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0322	0.2752	0.3093
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0274	0.2278	0.8095
Plasmodium vivax	RNA helicase-1, putative	0.0126	0.0813	0.2722
Brugia malayi	cathepsin F-like cysteine proteinase	0.0082	0.0377	0.0227
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0274	0.2278	0.8095
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0153	0.1081	0.0992
Schistosoma mansoni	hypothetical protein	0.0074	0.0297	0.0039
Schistosoma mansoni	cathepsin F (C01 family)	0.0192	0.1462	0.1455
Brugia malayi	Cathepsin L-like precursor	0.0274	0.2278	0.257
Echinococcus granulosus	eukaryotic initiation factor 4A III	0.0126	0.0813	0.0563
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0274	0.2278	0.8095
Mycobacterium tuberculosis	Probable multifunctional mycocerosic acid synthase membrane-associated Mas	0.0072	0.028	0.166
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0153	0.1081	0.1383
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0068	0.0238	0.1592
Brugia malayi	Papain family cysteine protease containing protein	0.0274	0.2278	0.257
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0112	0.0675	0.042
Loa Loa (eye worm)	cysteine protease	0.0274	0.2278	0.257
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0113	0.0682	0.0428
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0633	0.0543
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0071	0.0265	0.0089

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)		Inhibition of human purine nucleoside phosphorylase	ChEMBL.	17154507
Activity (binding)		Inhibition of human estrogen sulfotransferase	ChEMBL.	17154507
Activity (binding)		Inhibition of human group 3 sPLA2 at 100 uM	ChEMBL.	17154507
Activity (binding)		Inhibition of human group 3 sPLA2 at 10 uM	ChEMBL.	17154507
Activity (binding)		Inhibition of Herpes simplex virus type 1 thymidine kinase	ChEMBL.	17154507
Activity (binding)	0	Inhibition of human estrogen sulfotransferase	ChEMBL.	17154507
Activity (binding)	0	Inhibition of Herpes simplex virus type 1 thymidine kinase	ChEMBL.	17154507
Activity (binding)	0	Inhibition of methionine aminopeptidase	ChEMBL.	17154507
Activity (binding)	0	Inhibition of human purine nucleoside phosphorylase	ChEMBL.	17154507
Activity (binding)	0	Inhibition of human group 3 sPLA2 at 10 uM	ChEMBL.	17154507
Activity (binding)	0	Inhibition of human group 3 sPLA2 at 100 uM	ChEMBL.	17154507
Ki (binding)	= 8 uM	Inhibition of Toxoplasma gondii purine nucleoside phosphorylase	ChEMBL.	17154507
Ki (binding)	= 8 uM	Inhibition of Toxoplasma gondii purine nucleoside phosphorylase	ChEMBL.	17154507

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: CHEMBL438632

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 376430