TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 430.838 | Formula: C21H19ClN2O6
H donors: 1 H acceptors: 2 LogP: 2 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: NCCn1c2c(C(=O)c3c2cc2OCOc2c3)c2c(c1=O)cc(c(c2)OC)OC.Cl
InChi: 1S/C21H18N2O6.ClH/c1-26-14-5-10-13(8-15(14)27-2)21(25)23(4-3-22)19-11-6-16-17(29-9-28-16)7-12(11)20(24)18(10)19;/h5-8H,3-4,9,22H2,1-2H3;1H
InChiKey: HGKJLPYOQQNYSU-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
Loa Loa (eye worm)	hypothetical protein	0.0059	0.065	0.1233
Plasmodium vivax	cell division cycle ATPase, putative	0.0021	0.0122	0.0653
Schistosoma mansoni	CD36-like class B scavenger receptor	0.0102	0.124	0.1406
Loa Loa (eye worm)	hypothetical protein	0.0092	0.11	0.2192
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0022	0.0143	0.0153
Echinococcus multilocularis	transient receptor potential ion channel A	0.0089	0.1058	0.1058
Loa Loa (eye worm)	hypothetical protein	0.0246	0.3229	0.6727
Loa Loa (eye worm)	hypothetical protein	0.0059	0.065	0.1233
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0059	0.065	0.065
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0167	0.2139	0.4404
Brugia malayi	Protein kinase domain containing protein	0.0167	0.2139	0.4404
Echinococcus granulosus	glycoprotein Antigen 5	0.0059	0.065	0.0737
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0059	0.065	0.0737
Toxoplasma gondii	HEAT repeat-containing protein	0.003	0.0252	0.0237
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0025	0.0175	0.0232
Echinococcus granulosus	transient receptor potential gamma protein	0.0092	0.11	0.1248
Schistosoma mansoni	ran	0.0022	0.0143	0.0162
Entamoeba histolytica	protein kinase, putative	0.0085	0.1005	1
Echinococcus multilocularis	lysosome membrane protein 2	0.0102	0.124	0.124
Schistosoma mansoni	cd36 antigen	0.0038	0.0367	0.0416
Plasmodium falciparum	cell division cycle protein 48 homologue, putative	0.0054	0.0583	1
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0059	0.065	0.0737
Schistosoma mansoni	microtubule-associated protein tau	0.0652	0.8817	1
Entamoeba histolytica	transitional endoplasmic reticulum ATPase, putative	0.0054	0.0583	0.5106
Echinococcus granulosus	TRP transient receptor potential channel	0.0034	0.0307	0.0348
Entamoeba histolytica	cdc48-like protein, putative	0.0054	0.0583	0.5106
Brugia malayi	hypothetical protein	0.0038	0.0367	0.063
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0017	0.0071	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0367	0.063
Schistosoma mansoni	hypothetical protein	0.0322	0.4271	0.4844
Echinococcus multilocularis	TRP (transient receptor potential) channel	0.0034	0.0307	0.0307
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.02	0.0124
Onchocerca volvulus	Lysosome membrane protein 2 homolog	0.0102	0.124	0.3485
Leishmania major		0.0358	0.4766	1
Toxoplasma gondii	transitional endoplasmic reticulum ATPase, putative	0.0034	0.0308	0.0357
Schistosoma mansoni	cercarial elastase (S01 family)	0.0059	0.065	0.0737
Toxoplasma gondii	sedoheptulose-1,7-bisphosphatase	0.0133	0.167	0.3303
Trypanosoma cruzi	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0032	0.0284	0.0304
Brugia malayi	hypothetical protein	0.0026	0.02	0.0275
Loa Loa (eye worm)	glutaminase 2	0.0286	0.3774	0.7888
Trichomonas vaginalis	spermatogenesis associated factor, putative	0.0057	0.0624	0.1601
Echinococcus multilocularis	transitional endoplasmic reticulum atpase	0.0057	0.0624	0.0624
Echinococcus granulosus	CD36 class B scavenger receptor	0.0102	0.124	0.1406
Loa Loa (eye worm)	vesicle-fusing ATPase	0.0033	0.0298	0.0484
Onchocerca volvulus		0.0246	0.3229	1
Echinococcus granulosus	fructose 16 bisphosphatase 1	0.0358	0.4766	0.5405
Schistosoma mansoni	cercarial elastase (S01 family)	0.0059	0.065	0.0737
Echinococcus granulosus	transitional endoplasmic reticulum atpase	0.0057	0.0624	0.0707
Loa Loa (eye worm)	VCP protein	0.0024	0.0162	0.0195
Entamoeba histolytica	hypothetical protein	0.0085	0.1005	1
Echinococcus granulosus	transmembrane protease serine 3	0.0059	0.065	0.0737
Brugia malayi	Protein kinase domain containing protein	0.0085	0.1005	0.199
Echinococcus granulosus	GPCR family 2	0.0017	0.0071	0.0081
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0175	0.007
Echinococcus multilocularis	importin subunit beta 1	0.003	0.0252	0.0252
Loa Loa (eye worm)	hypothetical protein	0.0018	0.009	0.004
Mycobacterium ulcerans	hypothetical protein	0.0059	0.065	0.152
Onchocerca volvulus		0.0059	0.065	0.1554
Schistosoma mansoni	cercarial elastase (S01 family)	0.0059	0.065	0.0737
Brugia malayi	Serine/threonine-protein kinase Pim-3	0.0167	0.2139	0.4404
Schistosoma mansoni	hypothetical protein	0.0017	0.0071	0.0081
Mycobacterium tuberculosis	Putative conserved ATPase	0.0034	0.0308	1
Brugia malayi	glutaminase DH11.1	0.0286	0.3774	0.7888
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0175	0.0232
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0032	0.0284	0.0304
Loa Loa (eye worm)	hypothetical protein	0.0059	0.065	0.1233
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0175	0.0222
Echinococcus granulosus	microtubule associated protein 2	0.0652	0.8817	1
Schistosoma mansoni	glutaminase	0.0286	0.3774	0.4281
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0025	0.0175	0.5
Echinococcus granulosus	Mastin	0.0059	0.065	0.0737
Toxoplasma gondii	cell division protein CDC48AP	0.0034	0.0308	0.0357
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0017	0.0071	0.0081
Brugia malayi	Trypsin-like protease protein 5	0.0059	0.065	0.1233
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0059	0.065	0.0737
Schistosoma mansoni	hypothetical protein	0.0017	0.0071	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0175	0.0222
Onchocerca volvulus		0.0059	0.065	0.1554
Echinococcus multilocularis	proto oncogene serine:threonine protein kinase	0.0167	0.2139	0.2139
Brugia malayi	Cytochrome P450 family protein	0.0053	0.056	0.1042
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0.02	0.0124
Entamoeba histolytica	hypothetical protein	0.0024	0.0174	0.0361
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0367	0.063
Echinococcus multilocularis	transitional endoplasmic reticulum atpase	0.0024	0.0162	0.0162
Brugia malayi	latrophilin 2 splice variant baaae	0.0037	0.0342	0.0578
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0246	0.3229	0.3662
Schistosoma mansoni	cercarial elastase (S01 family)	0.0059	0.065	0.0737
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0017	0.0071	0.0081
Echinococcus multilocularis	CD36 class B scavenger receptor	0.0102	0.124	0.124
Echinococcus granulosus	CD36 class B scavenger receptor	0.0102	0.124	0.1406
Loa Loa (eye worm)	trypsin family protein	0.0059	0.065	0.1233
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0175	0.0222
Leishmania major	Transitional endoplasmic reticulum ATPase, putative,valosin-containing protein homolog	0.0054	0.0583	0.0953
Loa Loa (eye worm)	hypothetical protein	0.003	0.0252	0.0387
Trypanosoma cruzi	sedoheptulose-1,7-bisphosphatase, putative	0.0133	0.167	0.3303
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0024	0.0174	0.0067
Echinococcus granulosus	muscleblind protein	0.0141	0.1781	0.202
Echinococcus multilocularis	enteropeptidase	0.0059	0.065	0.065
Echinococcus multilocularis	FAD linked sulfhydryl oxidase ALR	0.0032	0.0284	0.0284
Plasmodium vivax	cell division cycle protein 48 homologue, putative	0.0054	0.0583	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0246	0.3229	0.3662
Trichomonas vaginalis	ran, putative	0.0022	0.0143	0.0319
Echinococcus granulosus	lysosome membrane protein 2	0.0102	0.124	0.1406
Toxoplasma gondii	Erv1 / Alr family protein	0.0032	0.0284	0.0304
Schistosoma mansoni	hypothetical protein	0.0037	0.0342	0.0388
Loa Loa (eye worm)	hypothetical protein	0.0102	0.124	0.2489
Toxoplasma gondii	fructose-bisphospatase II	0.0358	0.4766	1
Echinococcus granulosus	transient receptor potential ion channel A	0.0089	0.1058	0.12
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0175	0.007
Loa Loa (eye worm)	hypothetical protein	0.0058	0.063	0.1192
Toxoplasma gondii	Erv1 / Alr family protein	0.0032	0.0284	0.0304
Trypanosoma cruzi	sedoheptulose-1,7-bisphosphatase, putative	0.0133	0.167	0.3303
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0059	0.065	0.0737
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0054	0.0576	0.1076
Schistosoma mansoni	hypothetical protein	0.0017	0.0071	0.0081
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0022	0.0143	0.0143
Loa Loa (eye worm)	MH2 domain-containing protein	0.0109	0.1333	0.2689
Mycobacterium ulcerans	glutaminase	0.0286	0.3774	1
Schistosoma mansoni	fructose-16-bisphosphatase-related	0.0358	0.4766	0.5405
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0054	0.0576	0.1076
Plasmodium vivax	FAD-linked sulfhydryl oxidase ERV1, putative	0.0032	0.0284	0.3928
Echinococcus multilocularis	dual specificity	0.0085	0.1005	0.1005
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0022	0.0143	0.1076
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0059	0.065	0.1233
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0025	0.0175	0.0375
Brugia malayi	hypothetical protein	0.0038	0.0367	0.063
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0993	0.1963
Echinococcus granulosus	snurportin 1	0.0322	0.4271	0.4844
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0059	0.065	0.0737
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0576	0.1076
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.009	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0175	0.0222
Loa Loa (eye worm)	hypothetical protein	0.0102	0.124	0.2489
Trypanosoma brucei	Valosin-containing protein	0.0054	0.0583	0.0953
Loa Loa (eye worm)	cytochrome P450 family protein	0.0053	0.056	0.1042
Schistosoma mansoni	hypothetical protein	0.0059	0.065	0.0737
Schistosoma mansoni	transient receptor potential channel 4	0.0092	0.11	0.1248
Schistosoma mansoni	cercarial elastase (S01 family)	0.0059	0.065	0.0737
Echinococcus multilocularis	short transient receptor potential channel 6	0.0061	0.0673	0.0673
Entamoeba histolytica	protein kinase, putative	0.0085	0.1005	1
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0032	0.0284	0.0304
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0025	0.0175	0.4278
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0025	0.0175	0.4278
Schistosoma mansoni	hypothetical protein	0.0165	0.2103	0.2385
Brugia malayi	Trypsin family protein	0.0059	0.065	0.1233
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0085	0.1005	0.1865
Onchocerca volvulus	Serine\/threonine protein kinase homolog	0.0167	0.2139	0.643
Plasmodium vivax	importin-beta 2, putative	0.003	0.0252	0.3298
Schistosoma mansoni	importin beta-1	0.003	0.0252	0.0286
Echinococcus multilocularis	fructose 1,6 bisphosphatase 1	0.0358	0.4766	0.4766
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0175	0.0232
Echinococcus granulosus	dual specificity	0.0085	0.1005	0.114
Leishmania major	importin beta-1 subunit, putative	0.0024	0.0174	0.0067
Brugia malayi	RNA, U transporter 1	0.0086	0.1018	0.2017
Entamoeba histolytica	protein kinase domain containing protein	0.0085	0.1005	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0024	0.0174	0.0402
Echinococcus multilocularis	muscleblind protein 1	0.0141	0.1781	0.1781
Echinococcus multilocularis	CD36 class B scavenger receptor	0.0102	0.124	0.124
Schistosoma mansoni	cell division control protein 48 aaa family protein	0.0024	0.0162	0.0184
Echinococcus granulosus	enteropeptidase	0.0059	0.065	0.0737
Onchocerca volvulus		0.0187	0.2417	0.734
Loa Loa (eye worm)	hypothetical protein	0.0018	0.009	0.004
Toxoplasma gondii	fructose-bisphospatase I	0.0133	0.167	0.3303
Loa Loa (eye worm)	hypothetical protein	0.0102	0.124	0.2489
Trichomonas vaginalis	importin beta-1, putative	0.0024	0.0174	0.0402
Onchocerca volvulus		0.0059	0.065	0.1554
Brugia malayi	Trypsin family protein	0.0059	0.065	0.1233
Trichomonas vaginalis	glutaminase, putative	0.0286	0.3774	1
Trypanosoma cruzi	fructose-1,6-bisphosphatase, cytosolic, putative	0.0358	0.4766	1
Toxoplasma gondii	cell division protein CDC48CY	0.0057	0.0624	0.104
Brugia malayi	valosin containing protein	0.0033	0.0298	0.0484
Loa Loa (eye worm)	fructose-1,6-bisphosphatase	0.0358	0.4766	1
Echinococcus multilocularis	geminin	0.0165	0.2103	0.2103
Loa Loa (eye worm)	hepatopoietin HPO2	0.0032	0.0284	0.0453
Trypanosoma brucei	importin beta-1 subunit, putative	0.003	0.0252	0.0237
Schistosoma mansoni	transient receptor potential channel	0.0061	0.0673	0.0763
Loa Loa (eye worm)	transcription factor SMAD2	0.0109	0.1333	0.2689
Schistosoma mansoni	cell division control protein 48 aaa family protein	0.0057	0.0624	0.0707
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0025	0.0175	0.0232
Brugia malayi	CD36 family protein	0.0102	0.124	0.2489
Echinococcus granulosus	geminin	0.0165	0.2103	0.2385
Loa Loa (eye worm)	hypothetical protein	0.0018	0.009	0.004
Echinococcus multilocularis	snurportin 1	0.0322	0.4271	0.4271
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0054	0.0576	0.1076
Loa Loa (eye worm)	hypothetical protein	0.0018	0.009	0.004
Schistosoma mansoni	cercarial elastase (S01 family)	0.0059	0.065	0.0737
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0175	0.0222
Schistosoma mansoni	serine/threonine protein kinase	0.0085	0.1005	0.114
Trypanosoma brucei	importin beta-1 subunit, putative	0.003	0.0252	0.0237
Brugia malayi	MH2 domain containing protein	0.0109	0.1333	0.2689
Brugia malayi	vesicle-fusing ATPase	0.0033	0.0298	0.0484
Loa Loa (eye worm)	hypothetical protein	0.0246	0.3229	0.6727
Echinococcus granulosus	short transient receptor potential channel 6	0.0061	0.0673	0.0763
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0175	0.0232
Giardia lamblia	AAA family ATPase	0.0034	0.0308	1
Brugia malayi	Transient-receptor-potential like protein	0.0034	0.0307	0.0503
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0167	0.2139	0.4404
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0025	0.0175	0.0375
Trypanosoma cruzi	Valosin-containing protein, putative	0.0054	0.0583	0.0953
Brugia malayi	transitional endoplasmic reticulum ATPase TER94, putative	0.0024	0.0162	0.0195
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0024	0.0174	0.0402
Schistosoma mansoni	ran	0.0022	0.0143	0.0162
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.02	0.2239
Onchocerca volvulus	Transitional endoplasmic reticulum ATPase homolog	0.0057	0.0624	0.1469
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0367	0.063
Schistosoma mansoni	hypothetical protein	0.0165	0.2103	0.2385
Echinococcus multilocularis	glycoprotein Antigen 5	0.0059	0.065	0.065
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.02	0.2239
Schistosoma mansoni	serine/threonine protein kinase	0.0167	0.2139	0.2426
Loa Loa (eye worm)	hypothetical protein	0.0141	0.1781	0.3642
Plasmodium vivax	ataxin-2 like protein, putative	0.0026	0.02	0.2239
Echinococcus multilocularis	Mastin	0.0059	0.065	0.065
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0059	0.065	0.0737
Schistosoma mansoni	scavenger receptor class B type-2 (sr-B2)	0.0102	0.124	0.1406
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0085	0.1005	0.199
Schistosoma mansoni	transient receptor potential channel	0.0061	0.0673	0.0763
Mycobacterium ulcerans	hypothetical protein	0.0025	0.0175	0.0232
Brugia malayi	hypothetical protein	0.0017	0.0072	0.0001
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0059	0.065	0.0737
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0025	0.0175	0.0232
Schistosoma mansoni	cercarial elastase (S01 family)	0.0059	0.065	0.0737
Trypanosoma brucei	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0032	0.0284	0.0304
Echinococcus granulosus	CD36 class B scavenger receptor	0.0102	0.124	0.1406
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0025	0.0175	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0298	0.0484
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0059	0.065	0.065
Schistosoma mansoni	hypothetical protein	0.0059	0.065	0.0737
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0022	0.0143	0.1076
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0059	0.065	0.0737
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0025	0.0175	0.5
Toxoplasma gondii	LsmAD domain-containing protein	0.0026	0.02	0.0124
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0265	0.0413
Loa Loa (eye worm)	hypothetical protein	0.0026	0.02	0.0275
Brugia malayi	Trypsin family protein	0.0246	0.3229	0.6727
Echinococcus granulosus	proto oncogene serine:threonine protein kinase	0.0167	0.2139	0.2426
Schistosoma mansoni	CD36-like class B scavenger receptor	0.0102	0.124	0.1406
Loa Loa (eye worm)	glutaminase	0.0286	0.3774	0.7888
Loa Loa (eye worm)	hypothetical protein	0.0059	0.065	0.1233
Schistosoma mansoni	hypothetical protein	0.0017	0.0071	0.0081
Onchocerca volvulus		0.0059	0.065	0.1554
Brugia malayi	fructose-1,6-bisphosphatase	0.0358	0.4766	1
Leishmania major	hypothetical protein, conserved	0.0032	0.0284	0.0304
Brugia malayi	hypothetical protein	0.0059	0.065	0.1233
Echinococcus granulosus	CD36 class B scavenger receptor	0.0102	0.124	0.1406
Plasmodium falciparum	importin beta, putative	0.003	0.0252	0.3298
Echinococcus multilocularis	microtubule associated protein 2	0.0652	0.8817	0.8817
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	0.0085	0.1005	0.1865
Plasmodium falciparum	FAD-linked sulfhydryl oxidase ERV1, putative	0.0032	0.0284	0.3928
Entamoeba histolytica	acyl-coA synthetase, putative	0.0025	0.0175	0.0375
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0322	0.4271	0.8945
Echinococcus multilocularis	transient receptor potential gamma protein	0.0092	0.11	0.11
Echinococcus multilocularis	muscleblind protein	0.0141	0.1781	0.1781
Echinococcus granulosus	CD36 class B scavenger receptor	0.0102	0.124	0.1406
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0307	0.0503
Echinococcus granulosus	FAD linked sulfhydryl oxidase ALR	0.0032	0.0284	0.0322
Schistosoma mansoni	cercarial elastase (S01 family)	0.0059	0.065	0.0737
Echinococcus multilocularis	transmembrane protease serine 3	0.0059	0.065	0.065
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0175	0.007
Loa Loa (eye worm)	hypothetical protein	0.0018	0.009	0.004
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0085	0.1005	0.1865
Loa Loa (eye worm)	hypothetical protein	0.0059	0.065	0.1233
Echinococcus granulosus	importin subunit beta 1	0.003	0.0252	0.0286
Echinococcus multilocularis	short transient receptor potential channel 6	0.0061	0.0673	0.0673
Schistosoma mansoni	cercarial elastase (S01 family)	0.0059	0.065	0.0737
Brugia malayi	Importin beta-1 subunit	0.003	0.0252	0.0387
Echinococcus granulosus	short transient receptor potential channel 6	0.0061	0.0673	0.0763
Trypanosoma brucei	sedoheptulose-1,7-bisphosphatase	0.0133	0.167	0.3303
Echinococcus multilocularis	CD36 class B scavenger receptor	0.0102	0.124	0.124
Schistosoma mansoni	cell division control protein 48 aaa family protein	0.0054	0.0583	0.0661
Onchocerca volvulus		0.0059	0.065	0.1554
Schistosoma mansoni	transient receptor potential channel	0.0092	0.11	0.1248
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0017	0.0071	0.0071
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0022	0.0143	0.0153
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0022	0.0143	0.0162
Trypanosoma cruzi	fructose-1,6-bisphosphatase, cytosolic, putative	0.0358	0.4766	1
Brugia malayi	Muscleblind-like protein	0.0141	0.1781	0.3642
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0993	0.1963
Echinococcus multilocularis	CD36 class B scavenger receptor	0.0102	0.124	0.124
Loa Loa (eye worm)	hypothetical protein	0.0141	0.1781	0.3642
Leishmania major	hypothetical protein, conserved	0.0026	0.02	0.0124
Echinococcus multilocularis	CD36 class B scavenger receptor	0.0102	0.124	0.124
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0175	0.0222
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.02	0.0124
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0342	0.0578
Echinococcus multilocularis	GPCR, family 2	0.0017	0.0071	0.0071
Schistosoma mansoni	cercarial elastase (S01 family)	0.0059	0.065	0.0737
Mycobacterium ulcerans	ATPase	0.0034	0.0308	0.0592
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.009	0.0595
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0085	0.1005	0.1865
Trypanosoma brucei	fructose-1,6-bisphosphatase	0.0358	0.4766	1
Brugia malayi	Trypsin family protein	0.0059	0.065	0.1233
Schistosoma mansoni	cercarial elastase (S01 family)	0.0059	0.065	0.0737
Brugia malayi	Augmenter of liver regeneration	0.0032	0.0284	0.0453

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= 0.338 uM	Antiproliferative activity against human NCI60 cell line measured as mean graph midpoint	ChEMBL.	16750365
DNA cleavage (binding)	0	Induction of topoisomerase I mediated DNA cleavage; Greater activity than parent compound 1	ChEMBL.	15509164
GI50 (functional)	= 0.06 uM	Growth inhibitory activity of the compound against human colon HCT-116 cell line	ChEMBL.	15509164
GI50 (functional)	= 0.06 uM	Growth inhibitory activity of the compound against human colon HCT-116 cell line	ChEMBL.	15509164
GI50 (functional)	= 0.068 uM	Cytotoxicity against human colon HCT-116 cancer cell lines.	ChEMBL.	14667224
GI50 (functional)	= 0.14 uM	Growth inhibitory activity of the compound against human melanoma UACC-62 cell line	ChEMBL.	15509164
GI50 (functional)	= 0.14 uM	Cytotoxicity against human melanoma UACC-62 cancer cell lines.	ChEMBL.	14667224
GI50 (functional)	= 0.14 uM	Growth inhibitory activity of the compound against human melanoma UACC-62 cell line	ChEMBL.	15509164
GI50 (functional)	= 0.36 uM	Growth inhibitory activity of the compound against human renal SN12C cell line	ChEMBL.	15509164
GI50 (functional)	= 0.36 uM	Cytotoxicity against human renal SN12C cancer cell lines.	ChEMBL.	14667224
GI50 (functional)	= 0.36 uM	Growth inhibitory activity of the compound against human renal SN12C cell line	ChEMBL.	15509164
GI50 (functional)	= 0.4 uM	Growth inhibitory activity of the compound against human prostate DU-145 cell line	ChEMBL.	15509164
GI50 (functional)	= 0.4 uM	Cytotoxicity against human prostate DU-145 cancer cell lines.	ChEMBL.	14667224
GI50 (functional)	= 0.4 uM	Growth inhibitory activity of the compound against human prostate DU-145 cell line	ChEMBL.	15509164
GI50 (functional)	= 0.58 uM	Growth inhibitory activity of the compound against human lung HOP-62 cell line	ChEMBL.	15509164
GI50 (functional)	= 0.58 uM	Cytotoxicity was determined in human lung HOP-62 cancer cell lines	ChEMBL.	14667224
GI50 (functional)	= 0.58 uM	Growth inhibitory activity of the compound against human lung HOP-62 cell line	ChEMBL.	15509164
GI50 (functional)	= 0.86 uM	Growth inhibitory activity of the compound against human ovarian OVCAR-3 cell line	ChEMBL.	15509164
GI50 (functional)	= 0.86 uM	Cytotoxicity against human ovarian OVCAR-3 cancer cell lines.	ChEMBL.	14667224
GI50 (functional)	= 0.86 uM	Growth inhibitory activity of the compound against human ovarian OVCAR-3 cell line	ChEMBL.	15509164
GI50 (functional)	= 1.04 uM	Growth inhibitory activity of the compound against human breast MDA-MB-435 cell line	ChEMBL.	15509164
GI50 (functional)	= 1.04 uM	Cytotoxicity against human breast MIDA-MB-435 cancer cell lines.	ChEMBL.	14667224
GI50 (functional)	= 1.04 uM	Growth inhibitory activity of the compound against human breast MDA-MB-435 cell line	ChEMBL.	15509164
GI50 (functional)	= 1.3 uM	Growth inhibitory activity of the compound against human CNSSF-539 cell line	ChEMBL.	15509164
GI50 (functional)	= 1.3 uM	Cytotoxicity against human CNSSF-539 cancer cell lines.	ChEMBL.	14667224
Mean graph mid point (functional)	= 0.34	Mean graph mid point for growth inhibition of human cancer cell lines	ChEMBL.	15509164

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: CHEMBL187631

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 331041