TDR Targets

Basic information

Technical information

TDR Targets ID: 1353290
Name: 1-(4-fluorophenyl)sulfonyl-4-[(2,3,4-trimetho xyphenyl)methyl]piperazine; oxalic acid
MW: 514.521 | Formula: C22H27FN2O9S
H donors: 2 H acceptors: 6 LogP: -0.14 Rotable bonds: 8
Rule of 5 violations (Lipinski): 2
SMILES: OC(=O)C(=O)O.COc1c(ccc(c1OC)OC)CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)F
InChi: 1S/C20H25FN2O5S.C2H2O4/c1-26-18-9-4-15(19(27-2)20(18)28-3)14-22-10-12-23(13-11-22)29(24,25)17-7-5-16(21)6-8-17;3-1(4)2(5)6/h4-9H,10-14H2,1-3H3;(H,3,4)(H,5,6)
InChiKey: CXKWSKZIZOZTNJ-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

1-(4-fluorophenyl)sulfonyl-4-(2,3,4-trimethoxybenzyl)piperazine; oxalic acid
ethanedioic acid; 1-(4-fluorophenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
MLS000523324
SMR000123302
1-(4-Fluoro-benzenesulfonyl)-4-(2,3,4-trimethoxy-benzyl)-piperazine

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Giardia intestinalis	Putative fructose-1,6-bisphosphate aldolase	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	lysine (K)-specific demethylase 4A	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Echinococcus granulosus	Transcription factor JmjC domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Schistosoma japonicum	expressed protein	Get druggable targets OG5_127917	All targets in OG5_127917
Schistosoma japonicum	Probable JmjC domain-containing histone demethylation protein 3B, putative	Get druggable targets OG5_127917	All targets in OG5_127917
Candida albicans	one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp	Get druggable targets OG5_127917	All targets in OG5_127917
Treponema pallidum	fructose-bisphosphate aldolase	Get druggable targets OG5_129214	All targets in OG5_129214
Giardia lamblia	Fructose-bisphosphate aldolase	Get druggable targets OG5_129214	All targets in OG5_129214
Brugia malayi	jmjC domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Schistosoma japonicum	expressed protein	Get druggable targets OG5_127917	All targets in OG5_127917
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Schistosoma mansoni	jumonji domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Candida albicans	one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp	Get druggable targets OG5_127917	All targets in OG5_127917
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Candida albicans	one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp	Get druggable targets OG5_127917	All targets in OG5_127917
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Loa Loa (eye worm)	jmjC domain-containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Echinococcus granulosus	jumonji domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127917	All targets in OG5_127917
Echinococcus multilocularis	jumonji domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Plasmodium yoelii	hypothetical protein	Get druggable targets OG5_127917	All targets in OG5_127917
Candida albicans	one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp	Get druggable targets OG5_127917	All targets in OG5_127917
Schistosoma japonicum	JmjC domain-containing histone demethylation protein 3C, putative	Get druggable targets OG5_127917	All targets in OG5_127917

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	Putative fructose-1,6-bisphosphate aldolase	323 aa	361 aa	25.8 %
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 %
Candida albicans	fructose-bisphosphate aldolase	Putative fructose-1,6-bisphosphate aldolase	323 aa	358 aa	22.6 %
Mycobacterium ulcerans	fructose-bisphosphate aldolase	Putative fructose-1,6-bisphosphate aldolase	323 aa	361 aa	26.9 %
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	Putative fructose-1,6-bisphosphate aldolase	323 aa	361 aa	25.5 %
Candida albicans	fructose-bisphosphate aldolase	Putative fructose-1,6-bisphosphate aldolase	323 aa	358 aa	22.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	geminin	0.0205	0.5508	0.5524
Echinococcus multilocularis	multidrug resistance protein 1	0.0243	0.6675	0.6695
Giardia lamblia	Fructose-bisphosphate aldolase	0.0353	1	1
Trichomonas vaginalis	ABC transporter, putative	0.0352	0.9971	0.9971
Trichomonas vaginalis	ABC transporter, putative	0.0352	0.9971	0.9971
Echinococcus multilocularis	ATP binding cassette sub family B	0.0113	0.2726	0.2734
Plasmodium falciparum	multidrug resistance-associated protein 2	0.0113	0.2726	0.2677
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0125	0.3111	0.0681
Schistosoma mansoni	multidrug resistance protein	0.0125	0.3111	0.312
Plasmodium vivax	multidrug resistance-associated protein 1, putative	0.0113	0.2726	0.2677
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0352	0.9971	0.9971
Brugia malayi	ABC transporter transmembrane region family protein	0.0125	0.3111	0.312
Schistosoma mansoni	hypothetical protein	0.0205	0.5508	0.5524
Toxoplasma gondii	PHD-finger domain-containing protein	0.0035	0.0378	0.0303
Loa Loa (eye worm)	hypothetical protein	0.0113	0.2726	0.2734
Leishmania major	ATP-binding cassette protein subfamily C, member 6, putative	0.0125	0.3111	0.3066
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0352	0.9971	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	1	1
Echinococcus granulosus	PHD finger protein rhinoceros	0.0035	0.0378	0.0379
Loa Loa (eye worm)	transcription factor SMAD2	0.0121	0.298	0.2989
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0043	0.0602	0.0604
Entamoeba histolytica	P-glycoprotein-2	0.0352	0.9971	0.9961
Loa Loa (eye worm)	hypothetical protein	0.0109	0.2607	0.2615
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0035	0.0378	0.0379
Plasmodium falciparum	ABC transporter B family member 6, putative	0.0113	0.2726	0.2677
Giardia lamblia	Multidrug resistance-associated protein Mrp2	0.0109	0.2607	0.2317
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0352	0.9971	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	1	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0243	0.6675	0.6675
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0113	0.2726	0.2726
Echinococcus multilocularis	jumonji domain containing protein	0.0049	0.0795	0.0797
Trichomonas vaginalis	ABC transporter, putative	0.0352	0.9971	0.9971
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0352	0.9971	0.9971
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0352	0.9971	1
Trichomonas vaginalis	abcb9, putative	0.0352	0.9971	0.9971
Mycobacterium tuberculosis	Probable transmembrane multidrug efflux pump	0.0352	0.9971	1
Loa Loa (eye worm)	multidrug resistance protein 3	0.0352	0.9971	1
Plasmodium falciparum	multidrug resistance protein 1	0.0352	0.9971	1
Schistosoma mansoni	jumonji domain containing protein	0.0092	0.2086	0.2092
Leishmania major	ATP-binding cassette protein subfamily B, member 2, putative	0.0352	0.9971	1
Entamoeba histolytica	P-glycoprotein 6, putative	0.0113	0.2726	0.0161
Brugia malayi	ABC transporter	0.0113	0.2726	0.2734
Brugia malayi	ABC transporter family protein	0.0352	0.9971	1
Toxoplasma gondii	hypothetical protein	0.0198	0.5294	0.5273
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	1	1
Echinococcus granulosus	multidrug resistance protein 1	0.0352	0.9971	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.1139	0.1143
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0352	0.9971	0.9971
Plasmodium falciparum	ABC transporter B family member 4, putative	0.0113	0.2726	0.2677
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0125	0.3111	0.0681
Schistosoma mansoni	smdr1	0.0113	0.2726	0.2734
Onchocerca volvulus		0.0352	0.9971	1
Brugia malayi	ABC transporter family protein	0.0113	0.2726	0.2734
Giardia lamblia	Multidrug resistance-associated protein 1	0.0125	0.3111	0.2841
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.0352	0.9971	0.5
Plasmodium falciparum	ABC transporter B family member 5, putative	0.0113	0.2726	0.2677
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0352	0.9971	1
Plasmodium vivax	ABC transporter B family member 3, putative	0.0113	0.2726	0.2677
Echinococcus multilocularis	multidrug resistance protein 1	0.0352	0.9971	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	1	1
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0113	0.2726	0.2677
Loa Loa (eye worm)	ABC transporter transmembrane region family protein	0.0125	0.3111	0.312
Schistosoma mansoni	ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7)	0.0113	0.2726	0.2734
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0081	0.1751	0.1751
Schistosoma mansoni	voltage-gated potassium channel	0.0031	0.024	0.0241
Plasmodium falciparum	ABC transporter B family member 3, putative	0.0113	0.2726	0.2677
Schistosoma mansoni	multidrug resistance protein	0.0352	0.9971	1
Plasmodium vivax	multidrug resistance protein 1, putative	0.0352	0.9971	1
Schistosoma mansoni	hypothetical protein	0.0035	0.0378	0.0379
Echinococcus granulosus	multidrug resistance protein 1	0.0243	0.6675	0.6695
Schistosoma mansoni	smdr2	0.0352	0.9971	1
Echinococcus multilocularis	peregrin	0.0035	0.0378	0.0379
Giardia lamblia	Multidrug resistance-associated protein 1	0.0125	0.3111	0.2841
Plasmodium falciparum	ABC transporter B family member 7, putative	0.0113	0.2726	0.2677
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0092	0.2095	0.2101
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0092	0.2095	0.2101
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0352	0.9971	0.9971
Loa Loa (eye worm)	ABC transporter	0.0113	0.2726	0.2734
Echinococcus granulosus	ATP binding cassette sub family B	0.0113	0.2726	0.2734
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0352	0.9971	1
Plasmodium vivax	ABC transporter B family member 4, putative	0.0113	0.2726	0.2677
Brugia malayi	ABC transporter transmembrane region family protein	0.0113	0.2726	0.2734
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0081	0.1751	0.1751
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0352	0.9971	1
Loa Loa (eye worm)	hypothetical protein	0.0081	0.175	0.1755
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0092	0.2095	0.2101
Echinococcus granulosus	lysine specific demethylase 5A	0.0043	0.0602	0.0604
Toxoplasma gondii	ATP-binding cassette sub-family B member 5	0.0113	0.2726	0.2677
Echinococcus multilocularis	ATP binding cassette sub family B	0.0348	0.9852	0.9881
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0352	0.9971	0.9971
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0352	0.9971	0.9971
Entamoeba histolytica	multidrug resistance protein, putative	0.0125	0.3111	0.0681
Trypanosoma brucei	ABC transporter, mitochondrial, putative	0.0113	0.2726	0.8732
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0352	0.9971	0.9971
Toxoplasma gondii	ATP-binding cassette transporter ABC.B1	0.0352	0.9971	1
Giardia lamblia	MRP-like ABC transporter	0.0125	0.3111	0.2841
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0125	0.3111	0.0681
Treponema pallidum	fructose-bisphosphate aldolase	0.0353	1	0.5
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0109	0.2607	0.2607
Loa Loa (eye worm)	hypothetical protein	0.0352	0.9971	1
Trichomonas vaginalis	taga, putative	0.0352	0.9971	0.9971
Echinococcus granulosus	multidrug resistance protein 1	0.0243	0.6675	0.6695
Schistosoma mansoni	multidrug resistance protein	0.0125	0.3111	0.312
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0352	0.9971	0.9971
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	1	1
Echinococcus multilocularis	lysine specific demethylase 5A	0.0043	0.0602	0.0604
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0352	0.9971	0.9971
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0125	0.3111	1
Brugia malayi	hypothetical protein	0.0113	0.2726	0.2734
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0109	0.2607	0.2607
Echinococcus multilocularis	ATP binding cassette sub family B	0.0113	0.2726	0.2734
Plasmodium vivax	ABC transporter B family member 5, putative	0.0113	0.2726	0.2677
Leishmania major	ATP-binding cassette protein subfamily C, member 1, putative	0.0125	0.3111	0.3066
Brugia malayi	jmjC domain containing protein	0.0115	0.2803	0.2811
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0125	0.3111	0.3066
Leishmania major	p-glycoprotein e	0.0125	0.3111	0.3066
Loa Loa (eye worm)	inward rectifying k channel family protein 1	0.0198	0.5294	0.531
Brugia malayi	multidrug resistance related protein 1	0.0125	0.3111	0.312
Echinococcus granulosus	voltage gated sodium channel Nav1 alpha subunit	0.0093	0.214	0.2146
Loa Loa (eye worm)	hypothetical protein	0.0198	0.5294	0.531
Toxoplasma gondii	ABC transporter family protein	0.0113	0.2726	0.2677
Schistosoma mansoni	ATP-binding cassette sub-family B member 6 mitochondrial precursor (abc6)	0.0109	0.2607	0.2615
Echinococcus granulosus	ATP binding cassette sub family B	0.0109	0.2607	0.2615
Loa Loa (eye worm)	hypothetical protein	0.0122	0.2992	0.3
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0043	0.0602	0.0604
Echinococcus granulosus	multidrug resistance associated protein 1	0.0125	0.3111	0.312
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0031	0.024	0.0241
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0352	0.9971	0.9971
Trichomonas vaginalis	conserved hypothetical protein	0.0109	0.2607	0.2607
Echinococcus multilocularis	multidrug resistance protein 1	0.0352	0.9971	1
Leishmania major	ABC-thiol transporter	0.0125	0.3111	0.3066
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0352	0.9971	0.9971
Schistosoma mansoni	multidrug resistance protein	0.0109	0.2607	0.2615
Brugia malayi	ABC transporter family protein	0.0113	0.2726	0.2734
Echinococcus granulosus	multidrug resistance protein 1	0.0352	0.9971	1
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0352	0.9971	0.9971
Loa Loa (eye worm)	hypothetical protein	0.0198	0.5294	0.531
Brugia malayi	multidrug resistance protein 3	0.0352	0.9971	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0352	0.9971	0.9971
Echinococcus multilocularis	sodium channel protein	0.0093	0.214	0.2146
Entamoeba histolytica	P-glycoprotein-1	0.0352	0.9971	0.9961
Entamoeba histolytica	P-glycoprotein 5, putative	0.0352	0.9971	0.9961
Echinococcus granulosus	multidrug resistance associated protein 7	0.0125	0.3111	0.312
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0113	0.2726	0.2677
Schistosoma mansoni	multidrug resistance protein	0.0113	0.2726	0.2734
Loa Loa (eye worm)	ABC transporter	0.0113	0.2726	0.2734
Trypanosoma cruzi	ABC transporter, mitochondrial, putative	0.0113	0.2726	0.8732
Entamoeba histolytica	hypothetical protein	0.0125	0.3111	0.0681
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0113	0.2726	0.2677
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0115	0.2803	0.2811
Trichomonas vaginalis	ABC transporter, putative	0.0352	0.9971	0.9971
Leishmania major	calcium channel protein, putative,ion transporter, putative	0.0093	0.214	0.2084
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0353	1	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.024	0.0241
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0125	0.3111	0.0681
Loa Loa (eye worm)	hypothetical protein	0.0352	0.9971	1
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0092	0.2095	0.2101
Trypanosoma brucei	ABC transporter of the mitochondrion, putative	0.0113	0.2726	0.8732
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	1	1
Leishmania major	ATP-binding cassette protein subfamily B, member 1, putative	0.0113	0.2726	0.2677
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0125	0.3111	1
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0031	0.024	0.0241
Entamoeba histolytica	P-glycoprotein-2, putative	0.0352	0.9971	0.9961
Schistosoma mansoni	voltage-gated potassium channel	0.0031	0.024	0.0241
Echinococcus granulosus	multidrug resistance protein 1	0.0352	0.9971	1
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0031	0.024	0.0241
Leishmania major	ATP-binding cassette protein subfamily C, member 8, putative	0.0113	0.2726	0.2677
Giardia lamblia	Multidrug resistance-associated protein 1	0.0122	0.2992	0.2717
Plasmodium falciparum	multidrug resistance-associated protein 1	0.0113	0.2726	0.2677
Brugia malayi	ABC transporter	0.0109	0.2607	0.2615
Echinococcus granulosus	ATP binding cassette sub family B	0.0113	0.2726	0.2734
Toxoplasma gondii	ABC transporter, putative	0.0113	0.2726	0.2677
Trypanosoma cruzi	multidrug resistance protein E, putative	0.0125	0.3111	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	1	1
Giardia lamblia	ABC transporter, putative	0.0125	0.3111	0.2841
Brugia malayi	P-glycoprotein-like protein	0.0113	0.2726	0.2734
Leishmania major	ATP-binding cassette protein subfamily C, member 2, putative	0.0125	0.3111	0.3066
Plasmodium falciparum	multidrug resistance protein 2	0.0113	0.2726	0.2677
Schistosoma mansoni	multidrug resistance protein	0.0125	0.3111	0.312
Schistosoma mansoni	voltage-gated potassium channel	0.01	0.2335	0.2342
Trypanosoma cruzi	ABC transporter of the mitochondrion, putative	0.0113	0.2726	0.8732
Brugia malayi	PHD-finger family protein	0.0035	0.0378	0.0379
Loa Loa (eye worm)	jmjC domain-containing protein	0.0043	0.0602	0.0604
Trichomonas vaginalis	abcb9, putative	0.0352	0.9971	0.9971
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0352	0.9971	0.9971
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0113	0.2726	0.2677
Schistosoma mansoni	multidrug resistance protein	0.0352	0.9971	1
Echinococcus granulosus	peregrin	0.0035	0.0378	0.0379
Brugia malayi	ABC transporter transmembrane region family protein	0.0109	0.2607	0.2615
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0352	0.9971	0.9971
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0172	0.4533	0.2493
Echinococcus multilocularis		0.0113	0.2726	0.2734
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0378	0.0379
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0352	0.9971	0.9971
Echinococcus multilocularis	voltage gated potassium channel	0.0031	0.024	0.0241
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0352	0.9971	1
Leishmania major	pentamidine resistance protein 1	0.0125	0.3111	0.3066
Schistosoma mansoni	voltage-gated potassium channel	0.01	0.2335	0.2342
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0352	0.9971	1
Brugia malayi	Bromodomain containing protein	0.0035	0.0378	0.0379
Wolbachia endosymbiont of Brugia malayi	ABC-type multidrug transport system, ATPase and permease component	0.0113	0.2726	0.5
Entamoeba histolytica	P-glyco protein 6, putative	0.0352	0.9971	0.9961
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0352	0.9971	0.9971
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0352	0.9971	0.9971
Leishmania major	ATP-binding cassette protein subfamily C, member 5, putative	0.0125	0.3111	0.3066
Echinococcus multilocularis	multidrug resistance associated protein 1	0.0125	0.3111	0.312
Plasmodium vivax	ABC transporter B family member 7, putative	0.0113	0.2726	0.2677
Leishmania major	ATP-binding cassette protein subfamily B, member 3, putative	0.0113	0.2726	0.2677
Brugia malayi	ABC transporter family protein	0.0113	0.2726	0.2734
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0352	0.9971	1
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0125	0.3111	1
Echinococcus multilocularis	multidrug resistance associated protein 7	0.0125	0.3111	0.312
Giardia lamblia	Hypothetical protein	0.0109	0.2607	0.2317
Plasmodium vivax	ABC transporter B family member 6, putative	0.0113	0.2726	0.2677
Brugia malayi	hypothetical protein	0.0025	0.0078	0.0078
Brugia malayi	jmjC domain containing protein	0.0043	0.0602	0.0604
Entamoeba histolytica	P-glycoprotein-2	0.0352	0.9971	0.9961
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0352	0.9971	0.9971
Echinococcus multilocularis	ATP binding cassette sub family B	0.0113	0.2726	0.2734
Wolbachia endosymbiont of Brugia malayi	ABC-type protease secretion system, ATPase and permease component, AprD	0.0113	0.2726	0.5
Loa Loa (eye worm)	hypothetical protein	0.0125	0.3111	0.312
Loa Loa (eye worm)	PHD-finger family protein	0.0035	0.0378	0.0379
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0115	0.2803	0.2811
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0109	0.2607	0.2607
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0113	0.2726	0.2677
Entamoeba histolytica	P-glycoprotein 6, putative	0.0113	0.2726	0.0161
Loa Loa (eye worm)	hypothetical protein	0.0125	0.3111	0.312
Loa Loa (eye worm)	hypothetical protein	0.0198	0.5294	0.531
Toxoplasma gondii	PHD-finger domain-containing protein	0.0035	0.0378	0.0303
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0378	0.0303
Brugia malayi	MH2 domain containing protein	0.0121	0.298	0.2989
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0125	0.3111	1
Plasmodium falciparum	phd finger protein, putative	0.0035	0.0378	0.0303
Trichomonas vaginalis	abcb9, putative	0.0352	0.9971	0.9971
Plasmodium vivax	multidrug resistance protein 2, putative	0.0113	0.2726	0.2677
Trypanosoma brucei	multidrug resistance protein E	0.0125	0.3111	1
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0172	0.4533	1
Plasmodium vivax	multidrug resistance-associated protein 2, putative	0.0113	0.2726	0.2677
Entamoeba histolytica	ABC transporter, putative	0.0125	0.3111	0.0681
Loa Loa (eye worm)	hypothetical protein	0.0348	0.9852	0.9881
Brugia malayi	multidrug Resistance Protein family member (mrp-5), putative	0.0113	0.2726	0.2734
Schistosoma mansoni	multidrug resistance protein	0.0352	0.9971	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0352	0.9971	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0073	0.1513	0.1517
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0078	0.0078
Schistosoma mansoni	multidrug resistance protein	0.0125	0.3111	0.312
Leishmania major	p-glycoprotein	0.0352	0.9971	1
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.0352	0.9971	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0352	0.9971	0.9971
Entamoeba histolytica	P-glycoprotein-5	0.0352	0.9971	0.9961
Echinococcus granulosus	jumonji domain containing protein	0.0049	0.0795	0.0797
Echinococcus granulosus	sodium channel protein	0.0093	0.214	0.2146
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0035	0.0378	0.0379
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0352	0.9971	0.9971
Echinococcus granulosus	voltage gated potassium channel	0.0031	0.024	0.0241
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0352	0.9971	0.9971
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.0348	0.9852	0.9881
Echinococcus multilocularis	ATP binding cassette sub family B	0.0113	0.2726	0.2734
Loa Loa (eye worm)	ABC transporter	0.0113	0.2726	0.2734
Trypanosoma brucei	p-glycoprotein	0.0125	0.3111	1
Echinococcus multilocularis	geminin	0.0205	0.5508	0.5524
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0172	0.4533	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0121	0.298	0.2989
Schistosoma mansoni	hypothetical protein	0.0205	0.5508	0.5524

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1.4125 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)	= 15.8114 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)	18.3564 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)	20.5962 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)	25.1189 uM	PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory)	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)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	70.7946 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference

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: CHEMBL1463843

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1353290