TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 483.499 | Formula: C25H17N5O4S
H donors: 0 H acceptors: 6 LogP: 4.19 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(N(c1cccc(c1)c1ccnc2n1ncc2C(=O)c1cccs1)C)c1ccc(cc1)[N+](=O)[O-]
InChi: 1S/C25H17N5O4S/c1-28(25(32)16-7-9-18(10-8-16)30(33)34)19-5-2-4-17(14-19)21-11-12-26-24-20(15-27-29(21)24)23(31)22-6-3-13-35-22/h2-15H,1H3
InChiKey: VYNPEVWYFCVEKU-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Giardia lamblia	Peter pan protein	0.006	0.1356	0.8833
Trypanosoma brucei	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0066	0.1515	0.7533
Toxoplasma gondii	heat shock protein 90, putative	0.0025	0.0349	0.0721
Trichomonas vaginalis	ssf, putative	0.006	0.1356	0.895
Echinococcus multilocularis	axis inhibition protein axin	0.0019	0.0163	0.0057
Loa Loa (eye worm)	RGS-3 protein	0.0019	0.0163	0.0455
Brugia malayi	PXA domain containing protein	0.0019	0.0163	0.0403
Brugia malayi	RNase H family protein	0.0022	0.0256	0.1064
Echinococcus multilocularis	heat shock protein 90	0.0025	0.0349	0.0246
Echinococcus multilocularis	endoplasmin	0.0029	0.0455	0.0353
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0122	0.0132
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0023	0.028	0.1848
Echinococcus multilocularis	glyceraldehyde 3 phosphate dehydrogenase	0.0066	0.1515	0.1424
Onchocerca volvulus	Peter pan protein homolog	0.006	0.1356	1
Trypanosoma brucei	ribonuclease H1	0.0022	0.0256	0.0802
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0289	0.1196
Echinococcus granulosus	axis inhibition protein axin	0.0019	0.0163	0.0057
Trypanosoma brucei	hypothetical protein, conserved	0.0024	0.0309	0.1086
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0163	0.0455
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0289	0.1196
Leishmania major	heat shock protein 83-1	0.0025	0.0349	0.1727
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0289	0.1196
Echinococcus multilocularis	regulator of G protein signaling 7	0.0019	0.0163	0.0057
Leishmania major	heat shock protein 83-1	0.0025	0.0349	0.1727
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0289	0.1196
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0289	0.1299
Toxoplasma gondii	ribonuclease HI protein	0.0022	0.0256	0.0444
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.0152	0.1007
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0066	0.1515	0.1563
Schistosoma mansoni	axis inhibition protein axin	0.0019	0.0163	0.0063
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0289	0.1196
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0018	0.0152	0.0332
Mycobacterium ulcerans	glyceraldehyde 3-phosphate dehydrogenase Gap	0.0066	0.1515	1
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0066	0.1515	1
Trypanosoma brucei	Heat shock protein 83, putative	0.0025	0.0349	0.1301
Leishmania major	heat shock protein 83-1	0.0025	0.0349	0.1727
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0289	0.1196
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.0029	0.0455	0.2219
Trichomonas vaginalis	ribonuclease H1, putative	0.0022	0.0256	0.1688
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.0029	0.0455	0.2478
Leishmania major	glyceraldehyde-3-phosphate dehydrogenase-like protein	0.0043	0.0864	0.538
Trypanosoma brucei	RNA helicase, putative	0.0082	0.1976	1
Echinococcus multilocularis	p2X purinoceptor 4	0.0331	0.9122	0.9112
Loa Loa (eye worm)	glyceraldehyde-3-phosphate dehydrogenase	0.0045	0.0931	0.6601
Onchocerca volvulus		0.0023	0.0289	0.1464
Schistosoma mansoni	serine/threonine protein kinase	0.0019	0.0163	0.0063
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0163	0.1073
Leishmania major	heat shock protein 83-1	0.0025	0.0349	0.1727
Schistosoma mansoni	endoplasmin	0.0025	0.0349	0.027
Schistosoma mansoni	z-protein (S1r protein)	0.0019	0.0163	0.0063
Chlamydia trachomatis	glyceraldehyde-3-phosphate dehydrogenase	0.0066	0.1515	1
Trypanosoma brucei	heat shock protein, putative	0.0025	0.0349	0.1301
Trypanosoma brucei	heat shock protein, putative	0.0025	0.0349	0.1301
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.0019	0.0163	0.0455
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0019	0.0163	0.0455
Schistosoma mansoni	axis inhibition protein axin	0.0019	0.0163	0.0063
Trypanosoma cruzi	heat shock protein 85, putative	0.0025	0.0349	0.1727
Plasmodium falciparum	heat shock protein 90, putative	0.0017	0.0106	0.0698
Schistosoma mansoni	phosphoglucomutase	0.0022	0.0256	0.0166
Entamoeba histolytica	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0066	0.1515	1
Echinococcus multilocularis	expressed protein	0.0362	1	1
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, C-terminal domain, putative	0.002	0.0214	0.0768
Trypanosoma cruzi	heat shock protein 85, putative	0.0025	0.0349	0.1727
Giardia lamblia	Hypothetical protein	0.0055	0.1204	0.7723
Trypanosoma brucei	heat shock protein 90, putative	0.0025	0.0349	0.1301
Echinococcus multilocularis	heat shock protein	0.0025	0.0349	0.0246
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0289	0.1299
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0289	0.1299
Entamoeba histolytica	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0066	0.1515	1
Wolbachia endosymbiont of Brugia malayi	ribonuclease HI	0.0022	0.0256	0.0757
Trypanosoma brucei	glyceraldehyde 3-phosphate dehydrogenase, cytosolic	0.0066	0.1515	0.7533
Echinococcus multilocularis	p2X purinoceptor 4	0.0331	0.9122	0.9112
Trypanosoma cruzi	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0043	0.0864	0.538
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.002	0.0214	0.0768
Echinococcus granulosus	regulator of G protein signaling 7	0.0019	0.0163	0.0057
Entamoeba histolytica	hypothetical protein	0.0019	0.0163	0.0403
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.0066	0.1515	1
Toxoplasma gondii	exonuclease III APE	0.0018	0.0152	0.0139
Loa Loa (eye worm)	endoplasmin	0.0025	0.0349	0.1947
Trypanosoma brucei	heat shock protein, putative	0.0025	0.0349	0.1301
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.002	0.0214	0.0768
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0163	0.0455
Echinococcus multilocularis	regulator of G protein signaling 3	0.0019	0.0163	0.0057
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0289	0.5379
Brugia malayi	regulator of G-protein signaling egl-10	0.0019	0.0163	0.0403
Echinococcus multilocularis	heat shock protein 90	0.0025	0.0349	0.0246
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0289	0.1299
Echinococcus multilocularis	Regulator of G protein signaling 20	0.0019	0.0163	0.0057
Plasmodium falciparum	acyl-CoA synthetase	0.0017	0.0122	0.0806
Entamoeba histolytica	hypothetical protein	0.0019	0.0163	0.0403
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0066	0.1515	1
Brugia malayi	PXA domain containing protein	0.0019	0.0163	0.0403
Giardia lamblia	Glyceraldehyde 3-phosphate dehydrogenase	0.0066	0.1515	1
Toxoplasma gondii	brix domain-containing protein	0.006	0.1356	0.3702
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0019	0.0163	0.0403
Echinococcus granulosus	A kinase anchor protein 10 mitochondrial	0.0019	0.0163	0.0057
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0163	0.1073
Schistosoma mansoni	P2X receptor subunit	0.0331	0.9122	1
Onchocerca volvulus	Ribonuclease H1 homolog	0.0022	0.0256	0.1199
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0066	0.1515	1
Trichomonas vaginalis	heat shock protein, putative	0.0029	0.0455	0.3003
Loa Loa (eye worm)	PXA domain-containing protein	0.0019	0.0163	0.0455
Trypanosoma cruzi	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0043	0.0864	0.538
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0018	0.0152	0.0047
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.002	0.0214	0.0768
Schistosoma mansoni	phosphoglucomutase	0.0022	0.0256	0.0166
Giardia lamblia	Grp94/Hsp90	0.0029	0.0455	0.2219
Brugia malayi	RNase H family protein	0.0022	0.0256	0.1064
Trypanosoma cruzi	peter pan protein, putative	0.006	0.1356	0.8871
Trypanosoma brucei	heat shock protein 90, putative	0.0025	0.0349	0.1301
Echinococcus multilocularis	glyceraldehyde 3 phosphate dehydrogenase	0.0043	0.0865	0.0767
Trypanosoma cruzi	heat shock protein 85, putative	0.0025	0.0349	0.1727
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	0.0029	0.0455	1
Trypanosoma brucei	heat shock protein, putative	0.0025	0.0349	0.1301
Schistosoma mansoni	P2X receptor subunit	0.0197	0.5287	0.5747
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.0066	0.1515	1
Echinococcus granulosus	glyceraldehyde 3 phosphate dehydrogenase	0.0066	0.1515	0.1424
Trypanosoma cruzi	peter pan protein, putative	0.006	0.1356	0.8871
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, C-terminal domain, putative	0.002	0.0214	0.0768
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0163	0.0455
Trichomonas vaginalis	heat shock protein, putative	0.0029	0.0455	0.3003
Echinococcus granulosus	p2X purinoceptor 4	0.0331	0.9122	0.9112
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0289	0.1464
Echinococcus multilocularis	regulator of G protein signaling 3	0.0019	0.0163	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0289	0.1464
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0018	0.0152	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0163	0.0455
Treponema pallidum	5'-nucleotidase (ushA)	0.0134	0.3482	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0018	0.0152	0.0332
Brugia malayi	regulator of G-protein signaling rgs-7	0.0019	0.0163	0.0403
Schistosoma mansoni	peter pan-related	0.006	0.1356	0.1386
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0018	0.0152	0.1591
Schistosoma mansoni	regulator of G protein signaling	0.0019	0.0163	0.0063
Trypanosoma brucei	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0066	0.1515	0.7533
Echinococcus granulosus	p2X purinoceptor 4	0.0331	0.9122	0.9112
Plasmodium vivax	hypothetical protein, conserved	0.006	0.1356	0.8871
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0289	0.0446
Trypanosoma cruzi	ribonuclease H1, putative	0.0022	0.0256	0.1064
Echinococcus granulosus	heat shock protein 90	0.0025	0.0349	0.0246
Leishmania major	heat shock protein 83-1	0.0025	0.0349	0.1727
Entamoeba histolytica	heat shock protein 90, putative	0.0025	0.0349	0.1727
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.0152	0.1007
Trypanosoma brucei	ingi protein (ORF1)	0.0024	0.0309	0.1086
Echinococcus granulosus	peter pan	0.006	0.1356	0.1263
Echinococcus granulosus	regulator of G protein signaling 7	0.0019	0.0163	0.0057
Plasmodium vivax	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0066	0.1515	1
Trypanosoma brucei	brix domain containing protein, putative	0.006	0.1356	0.6683
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0289	0.1299
Schistosoma mansoni	heat shock protein	0.0025	0.0349	0.027
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0066	0.1515	1
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0025	0.0349	0.1443
Leishmania major	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0066	0.1515	1
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0163	0.1073
Leishmania major	heat shock protein 83-1	0.0025	0.0349	0.1727
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0122	0.0132
Schistosoma mansoni	23-cyclic-nucleotide 2-phosphodiesterase	0.0134	0.3471	0.3732
Trypanosoma cruzi	heat shock protein 85, putative	0.0025	0.0349	0.1727
Leishmania major	peter pan protein, putative	0.006	0.1356	0.8871
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0066	0.1515	1
Schistosoma mansoni	regulator of G protein signaling	0.0019	0.0163	0.0063
Trichomonas vaginalis	regulator of G protein signaling 5, rgs5, putative	0.0019	0.0163	0.1073
Schistosoma mansoni	regulator of G protein signaling	0.0019	0.0163	0.0063
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0066	0.1515	0.1563
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0163	0.0455
Plasmodium falciparum	BRIX domain, putative	0.006	0.1356	0.895
Plasmodium vivax	endoplasmin, putative	0.0025	0.0349	0.1727
Trypanosoma brucei	heat shock protein, putative	0.0025	0.0349	0.1301
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0865	0.6073
Schistosoma mansoni	regulator of G protein signaling 3 rgs3	0.0019	0.0163	0.0063
Brugia malayi	RNase H family protein	0.0022	0.0256	0.1064
Schistosoma mansoni	hypothetical protein	0.0082	0.1976	0.2075
Leishmania major	heat shock protein 83-1	0.0025	0.0349	0.1727
Schistosoma mansoni	peter pan-related	0.006	0.1356	0.1386
Brugia malayi	glyceraldehyde 3-phosphate dehydrogenase	0.002	0.0214	0.0768
Leishmania major	ribonuclease H1, putative	0.0022	0.0256	0.1064
Echinococcus granulosus	axis inhibition protein axin	0.0019	0.0163	0.0057
Echinococcus granulosus	regulator of G protein signaling 3	0.0019	0.0163	0.0057
Echinococcus multilocularis	regulator of G protein signaling 7	0.0019	0.0163	0.0057
Trypanosoma cruzi	heat shock protein 90, putative	0.0025	0.0349	0.1727
Brugia malayi	Endoplasmin precursor	0.0025	0.0349	0.1727
Loa Loa (eye worm)	glyceraldehyde 3-phosphate dehydrogenase	0.0043	0.0865	0.6073
Trypanosoma cruzi	Heat shock protein 83, putative	0.0025	0.0349	0.1727
Echinococcus multilocularis	ribonuclease H1	0.0022	0.0256	0.0152
Schistosoma mansoni	serine/threonine protein kinase	0.0019	0.0163	0.0063
Entamoeba histolytica	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0066	0.1515	1
Wolbachia endosymbiont of Brugia malayi	glyceraldehyde-3-phosphate dehydrogenase, GapA	0.0066	0.1515	1
Trichomonas vaginalis	heat shock protein, putative	0.0025	0.0349	0.2305
Plasmodium falciparum	glyceraldehyde-3-phosphate dehydrogenase	0.0066	0.1515	1
Leishmania major	heat shock protein 83-1	0.0025	0.0349	0.1727
Echinococcus granulosus	Regulator of G protein signaling 20	0.0019	0.0163	0.0057
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0066	0.1515	0.1563
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0066	0.1515	1
Echinococcus multilocularis	zinc finger protein 598	0.006	0.1345	0.1252
Leishmania major	heat shock protein 83-1	0.0025	0.0349	0.1727
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0163	0.1073
Schistosoma mansoni	heat shock protein	0.0025	0.0349	0.027
Leishmania major	heat shock protein 83-1	0.0025	0.0349	0.1727
Leishmania major	heat shock protein 83-1	0.0025	0.0349	0.1727
Schistosoma mansoni	P2X receptor subunit	0.0197	0.5287	0.5747
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0018	0.0152	0.0332
Echinococcus granulosus	p2X purinoceptor 4	0.0331	0.9122	0.9112
Echinococcus multilocularis	regulator of G protein signaling	0.0019	0.0163	0.0057
Schistosoma mansoni	P2X receptor subunit	0.0331	0.9122	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0163	0.0455
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0289	0.1196
Leishmania major	heat shock protein 83-1	0.0025	0.0349	0.1727
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0163	0.1073
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0122	0.0132
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.0066	0.1515	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0122	0.0132
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0122	0.0748
Schistosoma mansoni	serine/threonine protein kinase	0.0019	0.0163	0.0063
Brugia malayi	Brix domain containing protein	0.006	0.1356	0.8871
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0066	0.1515	1
Echinococcus granulosus	endoplasmin	0.0029	0.0455	0.0353
Schistosoma mansoni	ap endonuclease	0.0018	0.0152	0.0052
Echinococcus multilocularis	peter pan	0.006	0.1356	0.1263
Giardia lamblia	Ribonuclease H	0.0022	0.0256	0.0757
Schistosoma mansoni	regulator of G protein signaling	0.0019	0.0163	0.0063
Leishmania major	heat shock protein 83-1	0.0025	0.0349	0.1727
Echinococcus granulosus	heat shock protein	0.0025	0.0349	0.0246
Echinococcus multilocularis	glyceraldehyde 3 phosphate dehydrogenase	0.0066	0.1515	0.1424
Treponema pallidum	ribonuclease H (rnhA)	0.0022	0.0256	0.031
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0066	0.1515	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0289	0.1299
Trichomonas vaginalis	heat shock protein, putative	0.0025	0.0349	0.2305
Echinococcus granulosus	ribonuclease H1	0.0022	0.0256	0.0152
Brugia malayi	Probable G protein-coupled receptor kinase F19C6.1, putative	0.0019	0.0163	0.0403
Loa Loa (eye worm)	heat shock protein 90	0.0025	0.0349	0.1947
Toxoplasma gondii	5'-nucleotidase, C-terminal domain-containing protein	0.0134	0.3482	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0122	0.0132
Toxoplasma gondii	glyceraldehyde-3-phosphate dehydrogenase GAPDH2	0.0066	0.1515	0.4174
Echinococcus multilocularis	axis inhibition protein axin	0.0019	0.0163	0.0057
Leishmania major	heat shock protein 83-1	0.0025	0.0349	0.1727
Trypanosoma brucei	retrotransposon hot spot protein 4 (RHS4), interrupted	0.0024	0.0309	0.1086
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0289	0.5379
Echinococcus multilocularis	p2X purinoceptor 4	0.0331	0.9122	0.9112
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0043	0.0865	0.5709
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0289	0.1299
Echinococcus granulosus	regulator of G protein signaling 3	0.0019	0.0163	0.0057
Leishmania major	heat shock protein 83-1	0.0025	0.0349	0.1727
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0019	0.0163	0.0063
Treponema pallidum	heat shock protein 90	0.0029	0.0455	0.0908
Schistosoma mansoni	phosphoglucomutase	0.0022	0.0256	0.0166
Trypanosoma brucei	heat shock protein, putative	0.0025	0.0349	0.1301
Leishmania major	heat shock protein 83-1	0.0025	0.0349	0.1727
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0289	0.1196
Trypanosoma brucei	unspecified product	0.0024	0.0309	0.1086
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0018	0.0152	0.025
Plasmodium falciparum	heat shock protein 90	0.0025	0.0349	0.2305
Toxoplasma gondii	glyceraldehyde-3-phosphate dehydrogenase GAPDH1	0.0066	0.1515	0.4174
Trypanosoma brucei	ingi protein (ORF1)	0.0024	0.0309	0.1086
Toxoplasma gondii	heat shock protein HSP90	0.0025	0.0349	0.0721
Loa Loa (eye worm)	brix domain-containing protein	0.006	0.1356	1
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.0029	0.0455	1
Entamoeba histolytica	brix domain containing protein	0.006	0.1356	0.8871
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.0025	0.0349	0.0246
Brugia malayi	Glyceraldehyde 3-phosphate dehydrogenase	0.0023	0.028	0.1236
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0043	0.0865	0.5709
Leishmania major	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0066	0.1515	1
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0018	0.0152	0.0374
Giardia lamblia	Glyceraldehyde 3-phosphate dehydrogenase	0.0043	0.0864	0.5222
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0018	0.0152	0.0332
Brugia malayi	A-kinase anchor protein 10, precursor	0.0019	0.0163	0.0403
Schistosoma mansoni	ap endonuclease	0.0018	0.0152	0.0052
Plasmodium vivax	heat shock protein 86, putative	0.0025	0.0349	0.1727
Trypanosoma brucei	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0043	0.0864	0.4053
Loa Loa (eye worm)	AGC/GRK/BARK protein kinase	0.0019	0.0163	0.0455
Mycobacterium tuberculosis	Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH)	0.0023	0.0281	0.5164
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0019	0.0163	0.0063
Entamoeba histolytica	heat shock protein 90, putative	0.0025	0.0349	0.1727
Echinococcus granulosus	glyceraldehyde 3 phosphate dehydrogenase	0.0066	0.1515	0.1424
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0018	0.0152	0.0218
Loa Loa (eye worm)	glyceraldehyde-3-phosphate dehydrogenase	0.0045	0.0931	0.6601
Toxoplasma gondii	5'-nucleotidase, C-terminal domain-containing protein	0.0055	0.1215	0.3287
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0163	0.1073
Entamoeba histolytica	hypothetical protein	0.0019	0.0163	0.0403
Echinococcus granulosus	heat shock protein 90	0.0025	0.0349	0.0246
Treponema pallidum	glyceraldehyde 3-phosphate dehydrogenase (gap)	0.0066	0.1515	0.4092
Brugia malayi	Glyceraldehyde 3-phosphate dehydrogenase	0.0066	0.1515	1
Schistosoma mansoni	23-cyclic-nucleotide 2-phosphodiesterase	0.0134	0.3482	0.3744
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0066	0.1515	0.1563
Trypanosoma brucei	heat shock protein, putative	0.0025	0.0349	0.1301
Echinococcus granulosus	glyceraldehyde 3 phosphate dehydrogenase	0.0043	0.0865	0.0767
Echinococcus granulosus	zinc finger protein 598	0.006	0.1345	0.1252
Mycobacterium ulcerans	heat shock protein 90	0.0029	0.0455	0.2389
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0066	0.1515	1
Leishmania major	heat shock protein 83-1	0.0025	0.0349	0.1727
Brugia malayi	hypothetical protein	0.0019	0.0163	0.0403
Brugia malayi	exodeoxyribonuclease III family protein	0.0018	0.0152	0.0332
Schistosoma mansoni	regulator of G protein signaling	0.0019	0.0163	0.0063
Schistosoma mansoni	endoplasmin	0.0025	0.0349	0.027
Plasmodium vivax	acyl-CoA synthetase, putative	0.0017	0.0122	0.0117
Trypanosoma brucei	heat shock protein, putative	0.0025	0.0349	0.1301
Echinococcus granulosus	beta-adrenergic receptor kinase	0.0019	0.0163	0.0057
Trypanosoma cruzi	heat shock protein 90, putative	0.0025	0.0349	0.1727
Trypanosoma cruzi	ribonuclease H1, putative	0.0022	0.0256	0.1064
Brugia malayi	hypothetical protein	0.0019	0.0163	0.0403
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0025	0.0349	0.1443
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0289	0.0446
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0289	0.1464
Loa Loa (eye worm)	glyceraldehyde 3-phosphate dehydrogenase	0.0043	0.0865	0.6073
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0019	0.0163	0.0403
Brugia malayi	heat shock protein 90	0.0025	0.0349	0.1727
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0289	0.1299
Entamoeba histolytica	acyl-coA synthetase, putative	0.0023	0.0289	0.1299
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.0152	0.1007
Echinococcus multilocularis	beta adrenergic receptor kinase	0.0019	0.0163	0.0057
Echinococcus multilocularis	A kinase anchor protein 10, mitochondrial	0.0019	0.0163	0.0057
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.0152	0.0332

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 15.9 nM	Displacement of [3H]flunitrazepam from GABAA receptor in Sprague-Dawley rat cerebellar membrane	ChEMBL.	18023192
Log D	= 2.51	Distribution coefficient, log D of the compound by C-18 reversed phase method	ChEMBL.	18023192
Log D	= 2.64	Distribution coefficient, log D of the compound by alkyl amide reversed phase method	ChEMBL.	18023192

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.

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External resources for this compound

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 516385