TDR Targets

Basic information

Technical information

TDR Targets ID: 833025
Name: 5-chloro-2-[(2-fluorophenyl)methylsulfonyl]-N -(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pyri midine-4-carboxamide
MW: 459.926 | Formula: C15H11ClFN5O3S3
H donors: 1 H acceptors: 7 LogP: 2.79 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CSc1nnc(s1)NC(=O)c1nc(ncc1Cl)S(=O)(=O)Cc1ccccc1F
InChi: 1S/C15H11ClFN5O3S3/c1-26-15-22-21-13(27-15)20-12(23)11-9(16)6-18-14(19-11)28(24,25)7-8-4-2-3-5-10(8)17/h2-6H,7H2,1H3,(H,20,21,23)
InChiKey: SPGSGJRWIYOHPP-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

5-chloro-2-[(2-fluorophenyl)methylsulfonyl]-N-[5-(methylthio)-1,3,4-thiadiazol-2-yl]-4-pyrimidinecarboxamide
5-chloro-2-(2-fluorobenzyl)sulfonyl-N-[5-(methylthio)-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Mycobacterium tuberculosis	Probable replicative DNA helicase DnaB	Starlite/ChEMBL	No references
Homo sapiens	thyroid stimulating hormone receptor	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Homo sapiens	Niemann-Pick disease, type C1	Starlite/ChEMBL	No references
Mycobacterium tuberculosis	RecA protein (recombinase A) [contains: endonuclease PI-MTUI (MTU RecA intein)].	Starlite/ChEMBL	No references
Rattus norvegicus	Voltage-gated potassium channel subunit Kv7.2	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	hepatocyte nuclear factor 4, alpha	Starlite/ChEMBL	No references
Homo sapiens	vitamin D (1,25- dihydroxyvitamin D3) receptor	Starlite/ChEMBL	No references
Homo sapiens	perilipin 1	Starlite/ChEMBL	No references
Homo sapiens	solute carrier family 5 (sodium/choline cotransporter), member 7	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	potassium channel KvQLT family member kqt 1	Get druggable targets OG5_129255	All targets in OG5_129255
Brugia malayi	follicle stimulating hormone receptor	Get druggable targets OG5_130089	All targets in OG5_130089
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129255	All targets in OG5_129255
Brugia malayi	GH02984p	Get druggable targets OG5_131601	All targets in OG5_131601
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129255	All targets in OG5_129255
Chlamydia trachomatis	replicative DNA helicase	Get druggable targets OG5_131890	All targets in OG5_131890
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	Get druggable targets OG5_131038	All targets in OG5_131038
Loa Loa (eye worm)	voltage-gated potassium channel	Get druggable targets OG5_129255	All targets in OG5_129255
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	Get druggable targets OG5_131038	All targets in OG5_131038
Schistosoma mansoni	Replicative DNA helicase	Get druggable targets OG5_131890	All targets in OG5_131890
Echinococcus multilocularis	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Loa Loa (eye worm)	follicle stimulating hormone receptor	Get druggable targets OG5_130089	All targets in OG5_130089
Mycobacterium leprae	PROBABLE REPLICATIVE DNA HELICASE DNAB replicative DNA helicase	Get druggable targets OG5_131890	All targets in OG5_131890
Treponema pallidum	replicative DNA helicase (dnaB)	Get druggable targets OG5_131890	All targets in OG5_131890
Schistosoma japonicum	High affinity choline transporter 1, putative	Get druggable targets OG5_131601	All targets in OG5_131601
Echinococcus granulosus	expressed conserved protein	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma japonicum	Transcription factor HNF-4 homolog, putative	Get druggable targets OG5_131038	All targets in OG5_131038
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	Get druggable targets OG5_131038	All targets in OG5_131038
Schistosoma japonicum	Hepatocyte nuclear factor 4-beta, putative	Get druggable targets OG5_131038	All targets in OG5_131038
Mycobacterium ulcerans	recombinase A	Get druggable targets OG5_130095	All targets in OG5_130095
Echinococcus multilocularis	high affinity choline transporter 1	Get druggable targets OG5_131601	All targets in OG5_131601
Echinococcus granulosus	potassium voltage gated channel subfamily KQT	Get druggable targets OG5_129255	All targets in OG5_129255
Brugia malayi	Nuclear hormone receptor family member nhr-49	Get druggable targets OG5_131038	All targets in OG5_131038
Chlamydia trachomatis	recombinase RecA	Get druggable targets OG5_130095	All targets in OG5_130095
Brugia malayi	Niemann-Pick C1 protein precursor	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma japonicum	IPR001734,Na+/solute symporter,domain-containing	Get druggable targets OG5_131601	All targets in OG5_131601
Brugia malayi	Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog	Get druggable targets OG5_129255	All targets in OG5_129255
Schistosoma japonicum	Niemann-Pick C1 protein precursor, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Entamoeba histolytica	Niemann-Pick C1 protein, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Echinococcus multilocularis	potassium voltage gated channel subfamily KQT	Get druggable targets OG5_129255	All targets in OG5_129255
Schistosoma mansoni	high-affinity choline transporter	Get druggable targets OG5_131601	All targets in OG5_131601
Echinococcus multilocularis	expressed conserved protein	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma japonicum	ko:K04927 potassium voltage-gated channel, KQT-like subfamily, member 2, putative	Get druggable targets OG5_129255	All targets in OG5_129255
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131601	All targets in OG5_131601
Echinococcus granulosus	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma mansoni	niemann-pick C1 (NPC1)	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma japonicum	ko:K05324 potassium voltage-gated channel, KQT-like subfamily, invertebrate, putative	Get druggable targets OG5_129255	All targets in OG5_129255
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	Get druggable targets OG5_131038	All targets in OG5_131038
Echinococcus multilocularis	potassium voltage gated channel subfamily KQT	Get druggable targets OG5_129255	All targets in OG5_129255
Echinococcus multilocularis	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma japonicum	ko:K07003 Niemann Pick type C1, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma mansoni	voltage-gated potassium channel KCNQ	Get druggable targets OG5_129255	All targets in OG5_129255
Schistosoma japonicum	Niemann-Pick C1 protein precursor, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Wolbachia endosymbiont of Brugia malayi	recombinase A	Get druggable targets OG5_130095	All targets in OG5_130095
Loa Loa (eye worm)	potassium voltage-gated channel subfamily Q member 5	Get druggable targets OG5_129255	All targets in OG5_129255
Mycobacterium ulcerans	replicative DNA helicase DnaB	Get druggable targets OG5_131890	All targets in OG5_131890
Candida albicans	potential membrane protein similar to S. cerevisiae NCR1 (YPL006W) and human NPC1 late endosomal protein involved in sterol home	Get druggable targets OG5_128206	All targets in OG5_128206
Mycobacterium tuberculosis	RecA protein (recombinase A) [contains: endonuclease PI-MTUI (MTU RecA intein)].	Get druggable targets OG5_130095	All targets in OG5_130095
Mycobacterium leprae	RECA PROTEIN (RECOMBINASE A) [CONTAINS: Mle RECA INTEIN].	Get druggable targets OG5_130095	All targets in OG5_130095
Wolbachia endosymbiont of Brugia malayi	replicative DNA helicase	Get druggable targets OG5_131890	All targets in OG5_131890
Echinococcus granulosus	high affinity choline transporter 1	Get druggable targets OG5_131601	All targets in OG5_131601
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128206	All targets in OG5_128206
Treponema pallidum	recombinase A	Get druggable targets OG5_130095	All targets in OG5_130095
Mycobacterium tuberculosis	Probable replicative DNA helicase DnaB	Get druggable targets OG5_131890	All targets in OG5_131890
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128206	All targets in OG5_128206
Echinococcus granulosus	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %
Brugia malayi	steroid hormone receptor	vitamin D (1,25- dihydroxyvitamin D3) receptor	427 aa	416 aa	24.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Receptor family ligand binding region containing protein	0.0085	0.0101	0.1088
Echinococcus multilocularis	geminin	0.0205	0.0396	0.0807
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0085	0.0101	0.0206
Echinococcus multilocularis	glutamate receptor NMDA	0.1439	0.3444	0.702
Schistosoma mansoni	serine/threonine protein kinase	0.0055	0.0026	0.0065
Schistosoma mansoni	lipoxygenase	0.0089	0.011	0.0272
Loa Loa (eye worm)	norepinephrine transporter	0.0261	0.0535	0.5774
Loa Loa (eye worm)	hypothetical protein	0.042	0.0927	1
Echinococcus granulosus	receptor type guanylyl cyclase	0.0085	0.0101	0.0206
Echinococcus granulosus	potassium channel KvQLT family member kqt 1	0.0184	0.0344	0.0702
Echinococcus granulosus	geminin	0.0205	0.0396	0.0807
Schistosoma mansoni	tyrosine kinase	0.0085	0.0101	0.0248
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0142	0.0242	0.4458
Echinococcus multilocularis	protein dispatched 1	0.0058	0.0034	0.007
Echinococcus multilocularis	protein patched	0.0051	0.0017	0.0034
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.0592	0.1353	0.2757
Trichomonas vaginalis	CMGC family protein kinase	0.0055	0.0026	0.0196
Plasmodium falciparum	amino acid transporter, putative	0.0044	0	0.5
Echinococcus granulosus	glutamate receptor NMDA	0.1439	0.3444	0.702
Loa Loa (eye worm)	metabotropic GABA-B receptor subtype 2	0.0085	0.0101	0.1088
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0155	0.0274	0.0558
Schistosoma mansoni	glutamate receptor NMDA	0.169	0.4065	1
Loa Loa (eye worm)	metabotropic glutamate receptor 8	0.0085	0.0101	0.1088
Echinococcus granulosus	glutamate receptor 2	0.0251	0.0511	0.1042
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0166	0.0301	0.3245
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	0.0166	0.0301	0.0613
Loa Loa (eye worm)	potassium voltage-gated channel subfamily Q member 5	0.0078	0.0083	0.09
Schistosoma mansoni	hypothetical protein	0.0049	0.0012	0.003
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0251	0.0511	0.1042
Echinococcus granulosus	Niemann Pick C1 protein	0.017	0.031	0.0632
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0127	0.0205	0.0418
Echinococcus granulosus	glutamate receptor 2	0.0085	0.0101	0.0206
Echinococcus multilocularis	glutamate receptor ionotropic kainate	0.0166	0.0301	0.0613
Echinococcus multilocularis	Niemann Pick C1 protein	0.0119	0.0184	0.0375
Schistosoma mansoni	hypothetical protein	0.0049	0.0012	0.003
Trichomonas vaginalis	set domain proteins, putative	0.0256	0.0522	1
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0055	0.0026	1
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0085	0.0101	0.1088
Treponema pallidum	amino acid ABC transporter, periplasmic binding protein	0.0426	0.0943	0.8788
Schistosoma mansoni	sodium/solute symporter	0.0046	0.0005	0.0012
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0047	0.0007	0.0014
Brugia malayi	Pre-SET motif family protein	0.0225	0.0446	0.4806
Echinococcus granulosus	glutamate NMDA receptor subunit	0.0166	0.0301	0.0613
Loa Loa (eye worm)	twinkle helicase	0.0133	0.022	0.2371
Echinococcus multilocularis	nmda type glutamate receptor	0.1524	0.3655	0.7448
Schistosoma mansoni	hypothetical protein	0.0049	0.0012	0.003
Brugia malayi	Guanylyl cyclase protein 23	0.0085	0.0101	0.1088
Loa Loa (eye worm)	hypothetical protein	0.0261	0.0535	0.5774
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0155	0.0274	0.0558
Echinococcus granulosus	solute carrier family 5	0.0046	0.0005	0.001
Schistosoma mansoni	Replicative DNA helicase	0.0467	0.1043	0.2566
Schistosoma mansoni	glutamate receptor kainate	0.0166	0.0301	0.074
Echinococcus granulosus	mitogen activated protein kinase 3	0.0055	0.0026	0.0054
Echinococcus multilocularis	potassium voltage gated channel subfamily KQT	0.0078	0.0083	0.017
Schistosoma mansoni	patched 1	0.0051	0.0017	0.0041
Schistosoma mansoni	hypothetical protein	0.0049	0.0012	0.003
Treponema pallidum	amino acid ABC transporter, periplasmic binding protein (hisJ)	0.0426	0.0943	0.8788
Onchocerca volvulus		0.0046	0.0005	0.0091
Schistosoma mansoni	glutamate receptor kainate	0.0166	0.0301	0.074
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0251	0.0511	0.1042
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0055	0.0026	0.0054
Loa Loa (eye worm)	cytochrome P450 family protein	0.0056	0.003	0.0324
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0085	0.0101	0.1088
Echinococcus granulosus	tyrosine kinase	0.0085	0.0101	0.0206
Onchocerca volvulus		0.0085	0.0101	0.1885
Chlamydia trachomatis	replicative DNA helicase	0.0467	0.1043	1
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0101	0.1088
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0127	0.0205	0.0418
Echinococcus multilocularis	receptor type guanylyl cyclase	0.0085	0.0101	0.0206
Plasmodium falciparum	transporter, putative	0.0044	0	0.5
Brugia malayi	Sodium:solute symporter family protein	0.0046	0.0005	0.0053
Echinococcus granulosus	glutamate receptor ionotropic kainate 3	0.0166	0.0301	0.0613
Loa Loa (eye worm)	receptor family ligand binding region containing protein	0.0085	0.0101	0.1088
Echinococcus granulosus	glutamate receptor ionotropic kainate	0.0166	0.0301	0.0613
Echinococcus granulosus	expressed conserved protein	0.0112	0.0166	0.0339
Trichomonas vaginalis	CMGC family protein kinase	0.0055	0.0026	0.0196
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0121	0.0189	0.0464
Echinococcus granulosus	glutamate receptor subunit protein glur	0.0166	0.0301	0.0613
Plasmodium vivax	hypothetical protein, conserved	0.0044	0	0.5
Trypanosoma brucei	protein kinase, putative	0.0055	0.0026	0.5
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0101	0.1088
Brugia malayi	Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog	0.0184	0.0344	0.3712
Wolbachia endosymbiont of Brugia malayi	replicative DNA helicase	0.0467	0.1043	1
Brugia malayi	hypothetical protein	0.0085	0.0101	0.1088
Schistosoma mansoni	high-affinity choline transporter	0.042	0.0927	0.2281
Echinococcus granulosus	sodium:myo inositol cotransporter	0.0046	0.0005	0.001
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0005	0.0053
Schistosoma mansoni	protein kinase	0.0085	0.0101	0.0248
Echinococcus multilocularis	high affinity choline transporter 1	0.042	0.0927	0.189
Brugia malayi	Niemann-Pick C1 protein precursor	0.0119	0.0184	0.1986
Onchocerca volvulus	Atrial natriuretic peptide receptor 3 homolog	0.0085	0.0101	0.1885
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0166	0.0301	0.0613
Mycobacterium ulcerans	replicative DNA helicase DnaB	0.0467	0.1043	1
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0251	0.0511	0.1042
Loa Loa (eye worm)	hypothetical protein	0.0119	0.0184	0.1986
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0085	0.0101	0.0206
Onchocerca volvulus		0.0256	0.0522	0.9755
Brugia malayi	Cytochrome P450 family protein	0.0056	0.003	0.0324
Schistosoma mansoni	ATP-binding cassette transporter	0.0166	0.0301	0.074
Schistosoma mansoni	voltage-gated potassium channel KCNQ	0.0184	0.0344	0.0847
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0251	0.0511	0.1042
Schistosoma mansoni	glutamate receptor AMPA	0.0166	0.0301	0.074
Echinococcus multilocularis	glutamate receptor subunit protein glur	0.0166	0.0301	0.0613
Loa Loa (eye worm)	hypothetical protein	0.0135	0.0224	0.2419
Schistosoma mansoni	voltage-gated potassium channel	0.0047	0.0007	0.0017
Echinococcus multilocularis	Niemann Pick C1 protein	0.017	0.031	0.0632
Echinococcus granulosus	sodium:glucose cotransporter 2	0.0046	0.0005	0.001
Loa Loa (eye worm)	hypothetical protein	0.0261	0.0535	0.5774
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0261	0.0535	0.1317
Schistosoma mansoni	metabotropic glutamate receptor	0.0085	0.0101	0.0248
Mycobacterium leprae	Conserved hypothetical protein	0.1376	0.3289	1
Schistosoma mansoni	metabotropic glutamate receptor	0.0085	0.0101	0.0248
Mycobacterium tuberculosis	RecA protein (recombinase A) [contains: endonuclease PI-MTUI (MTU RecA intein)].	0.3756	0.9169	0.9083
Leishmania major	extracellular receptor, putative	0.0085	0.0101	1
Echinococcus granulosus	sterol regulatory element binding protein	0.0051	0.0017	0.0034
Echinococcus multilocularis	Ribosomal protein S1, RNA binding domain	0.0166	0.0301	0.0613
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0166	0.0301	0.3245
Toxoplasma gondii	transporter, solute:sodium symporter (SSS) family protein	0.0046	0.0005	0.1844
Plasmodium vivax	amine transporter, putative	0.0044	0	0.5
Echinococcus multilocularis	nmda type glutamate receptor	0.2031	0.4907	1
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0047	0.0007	0.0014
Echinococcus granulosus	high affinity choline transporter 1	0.042	0.0927	0.189
Treponema pallidum	replicative DNA helicase (dnaB)	0.0467	0.1043	1
Giardia lamblia	Kinase, CMGC MAPK	0.0055	0.0026	0.5
Echinococcus granulosus	sodium coupled monocarboxylate transporter 1	0.0046	0.0005	0.001
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0101	0.1088
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0055	0.0026	0.0285
Brugia malayi	MAP kinase sur-1	0.0055	0.0026	0.0285
Echinococcus multilocularis	expressed conserved protein	0.0112	0.0166	0.0339
Loa Loa (eye worm)	glutamate receptor	0.0085	0.0101	0.1088
Loa Loa (eye worm)	serotonin transporter b	0.0261	0.0535	0.5774
Brugia malayi	GH02984p	0.042	0.0927	1
Trypanosoma cruzi	extracellular receptor, putative	0.0085	0.0101	1
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0251	0.0511	0.1042
Loa Loa (eye worm)	glutamate receptor 1	0.0166	0.0301	0.3245
Brugia malayi	metabotropic glutamate receptor type 2	0.0085	0.0101	0.1088
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0083	0.09
Chlamydia trachomatis	recombinase RecA	0.013	0.0212	0.2036
Chlamydia trachomatis	glutamine binding protein	0.0426	0.0943	0.9034
Echinococcus granulosus	nmda type glutamate receptor	0.2031	0.4907	1
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0101	0.1088
Echinococcus granulosus	nmda type glutamate receptor	0.1524	0.3655	0.7448
Echinococcus multilocularis	glutamate receptor 2	0.0085	0.0101	0.0206
Brugia malayi	Receptor family ligand binding region containing protein	0.0085	0.0101	0.1088
Brugia malayi	CHE-14 protein	0.0051	0.0017	0.0178
Schistosoma mansoni	tyrosine kinase	0.0085	0.0101	0.0248
Echinococcus granulosus	atrial natriuretic peptide receptor	0.0085	0.0101	0.0206
Schistosoma mansoni	glutamate receptor NMDA	0.0166	0.0301	0.074
Mycobacterium ulcerans	glutamine-binding lipoprotein GlnH	0.0426	0.0943	0.8788
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0085	0.0101	0.0206
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0251	0.0511	0.1042
Echinococcus multilocularis	glutamate receptor 2	0.0166	0.0301	0.0613
Echinococcus multilocularis	atrial natriuretic peptide receptor	0.0085	0.0101	0.0206
Echinococcus granulosus	mitogen activated protein kinase	0.0055	0.0026	0.0054
Trichomonas vaginalis	CMGC family protein kinase	0.0055	0.0026	0.0196
Echinococcus multilocularis	potassium voltage gated channel subfamily KQT	0.0184	0.0344	0.0702
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0083	0.09
Brugia malayi	follicle stimulating hormone receptor	0.028	0.0581	0.6269
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0085	0.0101	0.1088
Echinococcus granulosus	potassium voltage gated channel subfamily KQT	0.0078	0.0083	0.017
Echinococcus multilocularis	voltage gated potassium channel	0.0047	0.0007	0.0014
Treponema pallidum	sodium- and chloride- dependent transporter	0.0261	0.0535	0.3889
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0119	0.0184	1
Schistosoma mansoni	hypothetical protein	0.0205	0.0396	0.0974
Echinococcus multilocularis	NMDA receptor	0.0166	0.0301	0.0613
Schistosoma mansoni	glutamate receptor kainate	0.0166	0.0301	0.074
Schistosoma mansoni	inositol transporter	0.0046	0.0005	0.0012
Brugia malayi	Glutamate receptor 2 precursor	0.0166	0.0301	0.3245
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0147	0.0253	0.0623
Onchocerca volvulus		0.0261	0.0535	1
Echinococcus multilocularis	sodium coupled monocarboxylate transporter 1	0.0046	0.0005	0.001
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0101	0.1088
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0101	0.1088
Schistosoma mansoni	sodium/chloride dependent transporter	0.0261	0.0535	0.1317
Echinococcus multilocularis	mitogen activated protein kinase	0.0055	0.0026	0.0054
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0007	0.0073
Schistosoma mansoni	inositol transporter	0.0046	0.0005	0.0012
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.028	0.0581	0.6269
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0101	0.1088
Schistosoma mansoni	voltage-gated potassium channel	0.0169	0.0309	0.0759
Echinococcus granulosus	serotonin transporter	0.0261	0.0535	0.1091
Echinococcus multilocularis	sterol regulatory element binding protein	0.0051	0.0017	0.0034
Echinococcus multilocularis	glutamate receptor 2	0.0251	0.0511	0.1042
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0261	0.0535	0.5774
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0047	0.0007	0.0073
Schistosoma mansoni	hypothetical protein	0.0166	0.0301	0.074
Loa Loa (eye worm)	glutamate receptor 2	0.0166	0.0301	0.3245
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0142	0.0242	0.4458
Echinococcus multilocularis	tyrosine kinase	0.0085	0.0101	0.0206
Echinococcus multilocularis	sodium:myo inositol cotransporter	0.0046	0.0005	0.001
Echinococcus granulosus	voltage gated potassium channel	0.0047	0.0007	0.0014
Loa Loa (eye worm)	voltage-gated potassium channel	0.0171	0.0312	0.3367
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0155	0.0274	0.2955
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0166	0.0301	0.0613
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0155	0.0274	0.2955
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0251	0.0511	0.1042
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0101	0.1088
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0101	0.1088
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0045	0.0484
Echinococcus granulosus	Protein patched homolog 1	0.0051	0.0017	0.0034
Brugia malayi	metabotropic GABA-B receptor subtype 2	0.0085	0.0101	0.1088
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0051	0.0017	0.0178
Brugia malayi	Glutamate receptor 1 precursor	0.0166	0.0301	0.3245
Schistosoma mansoni	sodium/chloride dependent transporter	0.0045	0.0001	0.0003
Echinococcus multilocularis	solute carrier family 5	0.0046	0.0005	0.001
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0017	0.0178
Chlamydia trachomatis	arginine ABC transporter substrate-binding protein ArtJ	0.0426	0.0943	0.9034
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0251	0.0511	0.1042
Echinococcus multilocularis	sodium:glucose cotransporter 2	0.0046	0.0005	0.001
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.0085	0.0101	0.0206
Echinococcus granulosus	Niemann Pick C1 protein	0.0119	0.0184	0.0375
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0261	0.0535	0.5774
Schistosoma mansoni	hypothetical protein	0.0205	0.0396	0.0974
Schistosoma mansoni	voltage-gated potassium channel	0.0047	0.0007	0.0017
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0055	0.0026	0.5
Onchocerca volvulus		0.0085	0.0101	0.1885
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0085	0.0101	0.1088
Trichomonas vaginalis	CMGC family protein kinase	0.0055	0.0026	0.0196
Echinococcus granulosus	sodium:glucose cotransporter	0.0046	0.0005	0.001
Schistosoma mansoni	glutamate receptor AMPA	0.0166	0.0301	0.074
Mycobacterium leprae	PROBABLE REPLICATIVE DNA HELICASE DNAB replicative DNA helicase	0.0467	0.1043	0.27
Echinococcus multilocularis	serotonin transporter	0.0261	0.0535	0.1091
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0225	0.0446	0.4806
Echinococcus granulosus	Ribosomal protein S1 RNA binding domain	0.0166	0.0301	0.0613
Schistosoma mansoni	lipoxygenase	0.0127	0.0205	0.0505
Schistosoma mansoni	voltage-gated potassium channel	0.0169	0.0309	0.0759
Loa Loa (eye worm)	hypothetical protein	0.0261	0.0535	0.5774

Activities

Activity type	Activity value	Assay description	Source	Reference
AC50 (functional)	= 4.996 uM	PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Secondary Screen to Identify Inhibitors of DnaB-Intein Splicing Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2223, AID489010, AID492950]	ChEMBL.	No reference
AC50 (functional)	> 380 uM	PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Secondary Screen to Identify Non-Covalent Inhibitors of RecA-Intein Splicing Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2223, AID489010, AID492950]	ChEMBL.	No reference
EC50 (functional)	= 3.5 uM	PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inhibitors of RecA-Intein Splicing Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2097, AID2223, AID489010, AID492950]	ChEMBL.	No reference
EC50 (functional)	= 4.19 um	PUBCHEM_BIOASSAY: Mode of action assay-Automated electrophysiology assay of compounds that potentiate KCNQ2 potassium channel. (Class of assay: confirmatory) [Related pubchem assays: 2258 (Summary assay for the KCNQ2 potentiators.), 2558 (Automated patch clamp assay for KCNQ2 mutant W236L cell line with 936 test compounds, and 91 are found active.), 2239 (Primary HTS assay for KCNQ2 potentiators with 305606 compounds tested, and 1644 are found to be active.), 2287 (Confirmatory screen assay in duplicate for 1189 compounds identified through HTS, and 804 are found active.)]	ChEMBL.	No reference
IC50 (functional)	2.161 uM	PubChem BioAssay. Counterscreen for inhibitors of the interaction of the lipase co-activator protein, abhydrolase domain containing 5 (ABHD5) with perilipin-5 (MLDP; PLIN5): Luminescence-based biochemical high throughput dose response assay to identify inhibitors of the interaction of the lipase co-activator protein, abhydrolase domain containing 5 (ABHD5) with perilipin-1 (PLIN1). (Class of assay: confirmatory)	ChEMBL.	No reference
IC50 (functional)	2.187761624 uM	PUBCHEM_BIOASSAY: Dose responses of compounds that inhibit the Choline Transporter (CHT) - 5 point CRC. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488975, AID488997, AID493221, AID493222]	ChEMBL.	No reference
IC50 (functional)	2.990330296 uM	PUBCHEM_BIOASSAY: Dose responses of compounds that inhibit the Choline Transporter (CHT) - 10 point CRC. (Class of assay: confirmatory)	ChEMBL.	No reference
IC50 (functional)	3.982 uM	PubChem BioAssay. Counterscreen for inhibitors of the interaction of the lipase co-activator protein, abhydrolase domain containing 5 (ABHD5) with perilipin-5 (MLDP; PLIN5): Luminescence-based biochemical high throughput dose response assay to identify inhibitors of Hepatocyte nuclear factor 4 (HNF4) dimerization. (Class of assay: confirmatory)	ChEMBL.	No reference
IC50 (functional)	52.32 uM	PUBCHEM_BIOASSAY: Primary and Confirmatory Screening for Flavivirus Genomic Capping Enzyme Inhibition. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588708, AID588742]	ChEMBL.	No reference
IC90 (functional)	> 100 uM	PUBCHEM_BIOASSAY: Intein inhibitors as potential Tuberculosis drugs. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2221, AID2223, AID434968, AID435010, AID449749, AID449750, AID492950]	ChEMBL.	No reference
Potency (functional)	2.5929 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	3.1623 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of the vitamin D receptor (VDR): Hit Validation using a Texas Red Assay. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 3.9811 um	PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	5.9728 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of the vitamin D receptor (VDR): Hit Validation in Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	7.3078 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of the vitamin D receptor (VDR): Hit Validation using a Beta-Lactamase Assay. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	7.5686 uM	PUBCHEM_BIOASSAY: qHTS for antagonists of the Thyroid Stimulation Hormone Receptor: Hit Validation in Parental Cell Line. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	7.9433 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of the vitamin D receptor (VDR): Hit Validation using a Fluorescein Assay. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 10 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	15.8489 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	19.9526 uM	PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855]	ChEMBL.	No reference
Potency (functional)	22.3872 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference
Potency (functional)	22.3872 uM	PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	23.1093 uM	PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)]	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.081 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	30.1313 uM	PUBCHEM_BIOASSAY: qHTS for antagonists of the Thyroid Stimulation Hormone Receptor: Hit Validation in Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	33.5875 uM	PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ]	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	44.6684 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 50.1187 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709]	ChEMBL.	No reference
Potency (functional)	= 63.0957 um	PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23
Homo sapiens	ChEMBL23

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: CHEMBL1393568
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 833025