TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 373.833 | Formula: C19H20ClN3O3
H donors: 3 H acceptors: 3 LogP: 2.2 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(NC(c1cccc(c1)C(=O)C)(C)C)Nc1ccc(c(c1)C(=O)N)Cl
InChi: 1S/C19H20ClN3O3/c1-11(24)12-5-4-6-13(9-12)19(2,3)23-18(26)22-14-7-8-16(20)15(10-14)17(21)25/h4-10H,1-3H3,(H2,21,25)(H2,22,23,26)
InChiKey: PTPXOEDNFHJBRH-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
Cryptosporidium parvum	inosine-5-monophosphate dehydrogenase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania major	guanosine monophosphate reductase	Get druggable targets OG5_126887	All targets in OG5_126887
Plasmodium vivax	inosine-5'-monophosphate dehydrogenase, putative	Get druggable targets OG5_126887	All targets in OG5_126887
Plasmodium falciparum	inosine-5'-monophosphate dehydrogenase	Get druggable targets OG5_126887	All targets in OG5_126887
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	Get druggable targets OG5_126887	All targets in OG5_126887
Cryptosporidium parvum	inosine-5-monophosphate dehydrogenase	Get druggable targets OG5_126887	All targets in OG5_126887
Leishmania infantum	inosine-5-monophosphate dehydrogenase	Get druggable targets OG5_126887	All targets in OG5_126887
Leishmania donovani	inosine-5'-monophosphate dehydrogenase	Get druggable targets OG5_126887	All targets in OG5_126887
Brugia malayi	inosine-5'-monophosphate dehydrogenase family protein	Get druggable targets OG5_126887	All targets in OG5_126887
Schistosoma japonicum	ko:K00088 IMP dehydrogenase [EC1.1.1.205], putative	Get druggable targets OG5_126887	All targets in OG5_126887
Candida albicans	guanosine nucleotide biosynthesis	Get druggable targets OG5_126887	All targets in OG5_126887
Echinococcus multilocularis	inosine 5' monophosphate dehydrogenase 2	Get druggable targets OG5_126887	All targets in OG5_126887
Candida albicans	N terminus of Inosine-5'-monophosphate dehydrogenase	Get druggable targets OG5_126887	All targets in OG5_126887
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	Get druggable targets OG5_126887	All targets in OG5_126887
Mycobacterium tuberculosis	Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase	Get druggable targets OG5_126887	All targets in OG5_126887
Trypanosoma cruzi	GMP reductase	Get druggable targets OG5_126887	All targets in OG5_126887
Mycobacterium leprae	Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena	Get druggable targets OG5_126887	All targets in OG5_126887
Trypanosoma cruzi	GMP reductase	Get druggable targets OG5_126887	All targets in OG5_126887
Neospora caninum	hypothetical protein	Get druggable targets OG5_126887	All targets in OG5_126887
Leishmania braziliensis	inosine-5-monophosphate dehydrogenase	Get druggable targets OG5_126887	All targets in OG5_126887
Mycobacterium ulcerans	inosine 5'-monophosphate dehydrogenase	Get druggable targets OG5_126887	All targets in OG5_126887
Loa Loa (eye worm)	IMP dehydrogenase 1	Get druggable targets OG5_126887	All targets in OG5_126887
Cryptosporidium hominis	inosine-5-monophosphate dehydrogenase	Get druggable targets OG5_126887	All targets in OG5_126887
Trypanosoma brucei	inosine-5'-monophosphate dehydrogenase	Get druggable targets OG5_126887	All targets in OG5_126887
Babesia bovis	inosine-5'-monophosphate dehydrogenase, putative	Get druggable targets OG5_126887	All targets in OG5_126887
Toxoplasma gondii	IMP dehydrogenas	Get druggable targets OG5_126887	All targets in OG5_126887
Candida albicans	N terminus of Inosine-5'-monophosphate dehydrogenase	Get druggable targets OG5_126887	All targets in OG5_126887
Echinococcus granulosus	inosine 5' monophosphate dehydrogenase 2	Get druggable targets OG5_126887	All targets in OG5_126887
Leishmania mexicana	inosine-5-monophosphate dehydrogenase	Get druggable targets OG5_126887	All targets in OG5_126887
Trypanosoma brucei gambiense	inosine-5-monophosphate dehydrogenase,IMP dehydrogenase, putative	Get druggable targets OG5_126887	All targets in OG5_126887
Wolbachia endosymbiont of Brugia malayi	IMP dehydrogenase	Get druggable targets OG5_126887	All targets in OG5_126887
Mycobacterium leprae	Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD)	Get druggable targets OG5_126887	All targets in OG5_126887
Trypanosoma brucei gambiense	inosine-5-monophosphate dehydrogenase, putative	Get druggable targets OG5_126887	All targets in OG5_126887
Schistosoma mansoni	inosine-5-monophosphate dehydrogenase	Get druggable targets OG5_126887	All targets in OG5_126887
Leishmania infantum	guanosine monophosphate reductase, putative	Get druggable targets OG5_126887	All targets in OG5_126887
Leishmania donovani	GMP reductase	Get druggable targets OG5_126887	All targets in OG5_126887
Plasmodium berghei	inosine-5'-monophosphate dehydrogenase, putative	Get druggable targets OG5_126887	All targets in OG5_126887
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	Get druggable targets OG5_126887	All targets in OG5_126887
Plasmodium knowlesi	inosine-5'-monophosphate dehydrogenase, putative	Get druggable targets OG5_126887	All targets in OG5_126887
Trypanosoma brucei	GMP reductase	Get druggable targets OG5_126887	All targets in OG5_126887
Theileria parva	Inosine-5'-monophosphate dehydrogenase, putative	Get druggable targets OG5_126887	All targets in OG5_126887
Leishmania major	inosine-5-monophosphate dehydrogenase	Get druggable targets OG5_126887	All targets in OG5_126887
Candida albicans	guanosine nucleotide biosynthesis	Get druggable targets OG5_126887	All targets in OG5_126887
Plasmodium yoelii	inosine-5'-monophosphate dehydrogenase	Get druggable targets OG5_126887	All targets in OG5_126887
Trypanosoma congolense	GMP reductase	Get druggable targets OG5_126887	All targets in OG5_126887
Leishmania braziliensis	guanosine monophosphate reductase, putative	Get druggable targets OG5_126887	All targets in OG5_126887
Mycobacterium tuberculosis	Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase	Get druggable targets OG5_126887	All targets in OG5_126887
Leishmania mexicana	guanosine monophosphate reductase	Get druggable targets OG5_126887	All targets in OG5_126887
Mycobacterium ulcerans	inosine 5-monophosphate dehydrogenase	Get druggable targets OG5_126887	All targets in OG5_126887

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
Loa Loa (eye worm)	hypothetical protein	0.00197354	0.00114289	0.00114289
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.00197354	0.00114289	0.5
Schistosoma mansoni	multidrug resistance protein	0.00241723	0.00331431	0.00217391
Leishmania major	ATP-binding cassette protein subfamily C, member 1, putative	0.00241723	0.00331431	0.00217391
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.00197354	0.00114289	0.5
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.00197354	0.00114289	0.5
Echinococcus multilocularis	multidrug resistance protein 1	0.00197354	0.00114289	0.000046028
Giardia lamblia	ABC transporter, putative	0.00241723	0.00331431	1
Mycobacterium leprae	Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena	0.00746269	0.0280069	0.172839
Loa Loa (eye worm)	hypothetical protein	0.00241723	0.00331431	0.00331431
Loa Loa (eye worm)	hexokinase	0.061962	0.294728	0.294728
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.00197354	0.00114289	0.5
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.00197354	0.00114289	0.5
Onchocerca volvulus		0.12664	0.611261	0.610817
Giardia lamblia	Multidrug resistance-associated protein 1	0.00241723	0.00331431	1
Leishmania major	pentamidine resistance protein 1	0.00241723	0.00331431	0.00217391
Loa Loa (eye worm)	hypothetical protein	0.00240783	0.00326833	0.00326833
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.00197354	0.00114289	0.000046028
Mycobacterium leprae	Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD)	0.0136355	0.058217	1
Echinococcus multilocularis	inosine 5' monophosphate dehydrogenase 2	0.0136355	0.058217	0.0571828
Loa Loa (eye worm)	IMP dehydrogenase 1	0.0136355	0.058217	0.058217
Brugia malayi	inosine-5'-monophosphate dehydrogenase	0.00617284	0.0216944	0.020575
Leishmania major	ATP-binding cassette protein subfamily C, member 5, putative	0.00241723	0.00331431	0.00217391
Brugia malayi	ABC transporter transmembrane region family protein	0.00241723	0.00331431	0.00217391
Schistosoma mansoni	multidrug resistance protein	0.00241723	0.00331431	0.00217391
Trypanosoma brucei	inosine-5'-monophosphate dehydrogenase	0.0136355	0.058217	0.0550852
Onchocerca volvulus	Putative GMP reductase	0.00617284	0.0216944	0.020575
Leishmania major	ATP-binding cassette protein subfamily C, member 2, putative	0.00241723	0.00331431	0.00217391
Entamoeba histolytica	ATP-binding cassette protein, putative	0.00241723	0.00331431	0.00217391
Plasmodium vivax	hexokinase, putative	0.206071	1	1
Mycobacterium tuberculosis	Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase	0.0136355	0.058217	1
Echinococcus multilocularis	hexokinase	0.206071	1	1
Loa Loa (eye worm)	hypothetical protein	0.00196415	0.00109691	0.00109691
Trichomonas vaginalis	ABC transporter, putative	0.00197354	0.00114289	0.5
Trypanosoma cruzi	hexokinase, putative	0.206071	1	1
Entamoeba histolytica	hypothetical protein	0.00241723	0.00331431	0.00217391
Echinococcus multilocularis	hexokinase	0.206071	1	1
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	0.0136355	0.058217	0.0550852
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.00197354	0.00114289	0.5
Trypanosoma brucei	hexokinase	0.206071	1	1
Onchocerca volvulus		0.206071	1	1
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	0.0136355	0.058217	0.0550852
Plasmodium falciparum	inosine-5'-monophosphate dehydrogenase	0.0136355	0.058217	0.0571394
Trichomonas vaginalis	abcb9, putative	0.00197354	0.00114289	0.5
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.00197354	0.00114289	0.000046028
Trypanosoma brucei	hexokinase	0.206071	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.00197354	0.00114289	0.5
Echinococcus granulosus	multidrug resistance associated protein 1	0.00241723	0.00331431	0.00221984
Treponema pallidum	hexokinase (hxk)	0.206071	1	0.5
Echinococcus granulosus	multidrug resistance protein 1	0.00197354	0.00114289	0.000046028
Loa Loa (eye worm)	hypothetical protein	0.00241723	0.00331431	0.00331431
Loa Loa (eye worm)	hypothetical protein	0.0646774	0.308018	0.308018
Plasmodium vivax	inosine-5'-monophosphate dehydrogenase, putative	0.0136355	0.058217	0.0571394
Giardia lamblia	Multidrug resistance-associated protein 1	0.00241723	0.00331431	1
Echinococcus multilocularis	hexokinase	0.206071	1	1
Brugia malayi	inosine-5'-monophosphate dehydrogenase family protein	0.0136355	0.058217	0.0571394
Trypanosoma cruzi	hexokinase, putative	0.206071	1	1
Brugia malayi	hexokinase	0.206071	1	1
Leishmania major	inosine-5-monophosphate dehydrogenase	0.0136355	0.058217	0.0571394
Toxoplasma gondii	hexokinase	0.206071	1	1
Entamoeba histolytica	ATP-binding cassette protein, putative	0.00241723	0.00331431	0.00217391
Trypanosoma cruzi	GMP reductase	0.0136355	0.058217	0.0550852
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.00197354	0.00114289	0.5
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.00197354	0.00114289	0.5
Echinococcus granulosus	inosine 5' monophosphate dehydrogenase 2	0.0136355	0.058217	0.0571828
Trichomonas vaginalis	ABC transporter, putative	0.00197354	0.00114289	0.5
Loa Loa (eye worm)	GMP reductase	0.00617284	0.0216944	0.0216944
Echinococcus granulosus	multidrug resistance protein 1	0.00197354	0.00114289	0.000046028
Trypanosoma brucei	hexokinase, putative	0.206071	1	1
Leishmania major	ATP-binding cassette protein subfamily C, member 6, putative	0.00241723	0.00331431	0.00217391
Loa Loa (eye worm)	hexokinase type II	0.206071	1	1
Schistosoma mansoni	multidrug resistance protein	0.00241723	0.00331431	0.00217391
Entamoeba histolytica	multidrug resistance protein, putative	0.00241723	0.00331431	0.00217391
Trichomonas vaginalis	abcb9, putative	0.00197354	0.00114289	0.5
Loa Loa (eye worm)	hypothetical protein	0.141393	0.683467	0.683467
Brugia malayi	Hexokinase family protein	0.061962	0.294728	0.293921
Trichomonas vaginalis	ABC transporter, putative	0.00197354	0.00114289	0.5
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.00197354	0.00114289	0.000046028
Echinococcus granulosus	hexokinase type 2	0.206071	1	1
Trichomonas vaginalis	taga, putative	0.00197354	0.00114289	0.5
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.00197354	0.00114289	0.5
Loa Loa (eye worm)	hypothetical protein	0.00197354	0.00114289	0.00114289
Schistosoma mansoni	inosine-5-monophosphate dehydrogenase	0.0136355	0.058217	0.0571394
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.00197354	0.00114289	0.000046028
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.00197354	0.00114289	0.000046028
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.00197354	0.00114289	0.5
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.00197354	0.00114289	0.5
Entamoeba histolytica	hexokinase 1	0.206071	1	1
Brugia malayi	hexokinase type II	0.0646774	0.308018	0.307226
Echinococcus granulosus	hexokinase	0.206071	1	1
Echinococcus multilocularis	multidrug resistance associated protein 1	0.00241723	0.00331431	0.00221984
Entamoeba histolytica	ABC transporter, putative	0.00241723	0.00331431	0.00217391
Onchocerca volvulus		0.206071	1	1
Leishmania major	ABC-thiol transporter	0.00241723	0.00331431	0.00217391
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.00197354	0.00114289	0.00114289
Brugia malayi	Hexokinase family protein	0.12664	0.611261	0.610817
Echinococcus multilocularis	multidrug resistance protein 1	0.00197354	0.00114289	0.000046028
Echinococcus granulosus	multidrug resistance protein 1	0.00197354	0.00114289	0.000046028
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.00197354	0.00114289	0.5
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.00197354	0.00114289	0.5
Loa Loa (eye worm)	multidrug resistance protein 3	0.00197354	0.00114289	0.00114289
Trichomonas vaginalis	ABC transporter, putative	0.00197354	0.00114289	0.5
Toxoplasma gondii	IMP dehydrogenas	0.0136355	0.058217	0.0571394
Echinococcus multilocularis	multidrug resistance associated protein 7	0.00241723	0.00331431	0.00221984
Mycobacterium tuberculosis	Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase	0.00746269	0.0280069	0.470687
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.00197354	0.00114289	0.000046028
Loa Loa (eye worm)	hexokinase	0.206071	1	1
Loa Loa (eye worm)	hypothetical protein	0.0646774	0.308018	0.308018
Entamoeba histolytica	hexokinase 2	0.206071	1	1
Echinococcus granulosus	hexokinase	0.206071	1	1
Loa Loa (eye worm)	hexokinase	0.12664	0.611261	0.611261
Wolbachia endosymbiont of Brugia malayi	IMP dehydrogenase	0.0136355	0.058217	0.5
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.00197354	0.00114289	0.5
Schistosoma mansoni	multidrug resistance protein	0.00241723	0.00331431	0.00217391
Mycobacterium ulcerans	inosine 5'-monophosphate dehydrogenase	0.0136355	0.058217	1
Loa Loa (eye worm)	ABC transporter transmembrane region family protein	0.00241723	0.00331431	0.00331431
Echinococcus granulosus	multidrug resistance associated protein 7	0.00241723	0.00331431	0.00221984
Mycobacterium ulcerans	inosine 5-monophosphate dehydrogenase	0.0136355	0.058217	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.00197354	0.00114289	0.5
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.00197354	0.00114289	0.5
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.00197354	0.00114289	0.5
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.00197354	0.00114289	0.5
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.00197354	0.00114289	0.5
Plasmodium falciparum	hexokinase	0.206071	1	1
Trypanosoma brucei	GMP reductase	0.0136355	0.058217	0.0550852
Loa Loa (eye worm)	hexokinase	0.206071	1	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.00197354	0.00114289	0.000046028
Entamoeba histolytica	ATP-binding cassette protein, putative	0.00241723	0.00331431	0.00217391
Leishmania major	guanosine monophosphate reductase	0.0136355	0.058217	0.0571394
Brugia malayi	inosine-5'-monophosphate dehydrogenase	0.00617284	0.0216944	0.020575
Echinococcus multilocularis	hexokinase type 2	0.206071	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.00197354	0.00114289	0.5
Brugia malayi	GMP reductase	0.00617284	0.0216944	0.020575
Onchocerca volvulus		0.206071	1	1
Leishmania major	hexokinase, putative	0.206071	1	1
Leishmania major	hexokinase, putative	0.206071	1	1
Schistosoma mansoni	hexokinase	0.206071	1	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.00197354	0.00114289	0.000046028
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.00241723	0.00331431	0.00217391
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.00197354	0.00114289	0.5
Echinococcus granulosus	hexokinase	0.206071	1	1
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	0.0136355	0.058217	0.0550852
Trypanosoma cruzi	GMP reductase	0.0136355	0.058217	0.0550852
Giardia lamblia	MRP-like ABC transporter	0.00241723	0.00331431	1
Brugia malayi	multidrug resistance related protein 1	0.00241723	0.00331431	0.00217391
Brugia malayi	Hexokinase family protein	0.206071	1	1
Trichomonas vaginalis	abcb9, putative	0.00197354	0.00114289	0.5
Leishmania major	p-glycoprotein e	0.00241723	0.00331431	0.00217391
Entamoeba histolytica	ATP-binding cassette protein, putative	0.00241723	0.00331431	0.00217391
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.00197354	0.00114289	0.000046028
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.00197354	0.00114289	0.5
Onchocerca volvulus	Hexokinase homolog	0.12664	0.611261	0.610817

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 0.38 uM	Antiparasitic activity against Toxoplasma gondii expressing Cryptosporidium parvum IMPDH and co-expressing yellow fluorescent protein infected to human TERT immobilized human foreskin fibroblasts assessed as parasite growth inhibition for 6 to 7 days by fluorescence based assay	ChEMBL.	22950983
EC50 (ADMET)	> 25 uM	Toxicity against wild type Toxoplasma gondii expressing yellow fluorescent protein infected in human TERT immobilized human foreskin fibroblasts assessed as parasite growth inhibition for 6 to 7 days by fluorescence based assay	ChEMBL.	22950983
IC50 (binding)	= 52 nM	Inhibition of Cryptosporidium parvum recombinant IMPDH expressed in Escherichia coli assessed as production of NADH in presence of 0.05% fatty acid free BSA incubated for 5 mins by fluorescence based assay	ChEMBL.	22950983
IC50 (binding)	= 54 nM	Inhibition of Cryptosporidium parvum recombinant IMPDH expressed in Escherichia coli assessed as production of NADH incubated for 5 mins by fluorescence based assay	ChEMBL.	22950983
T1/2 (ADMET)	> 700 min	Half life in mouse liver microsomes	ChEMBL.	22950983

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Toxoplasma gondii	ChEMBL23	22950983

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: CHEMBL2178636

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1717598