TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 484.581 | Formula: C28H36O7
H donors: 2 H acceptors: 4 LogP: 1.71 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: CC1=C(C)C(=O)O[C@H](C1)[C@@]([C@@]12O[C@@H]1C[C@@H]1[C@]2(C)CC[C@H]2[C@H]1C[C@@H]1[C@]3([C@]2(C)C(=O)C=C[C@@H]3O)O1)(O)C
InChi: 1S/C28H36O7/c1-13-10-20(33-23(31)14(13)2)26(5,32)28-22(35-28)12-17-15-11-21-27(34-21)19(30)7-6-18(29)25(27,4)16(15)8-9-24(17,28)3/h6-7,15-17,19-22,30,32H,8-12H2,1-5H3/t15-,16+,17+,19+,20-,21-,22-,24+,25+,26+,27-,28-/m1/s1
InChiKey: ONOYEGAYNUISOH-QTRSZHGFSA-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
Entamoeba histolytica	hypothetical protein	0.0011	0.013	0.0228
Trichomonas vaginalis	adenylate cyclase, type VII, putative	0.0016	0.0246	0.0545
Trichomonas vaginalis	adenylate cyclase, putative	0.0016	0.0246	0.0545
Trypanosoma cruzi	major cysteine proteinase, putative	0.0024	0.0465	0.1146
Leishmania major	protein kinase, putative	0.0016	0.0246	0.0545
Leishmania major	hypothetical protein, conserved	0.0008	0.0056	0.0024
Echinococcus granulosus	ATP dependent DNA helicase PIF1	0.0148	0.3698	0.6566
Trypanosoma cruzi	STE group serine/threonine-protein kinase, putative	0.0016	0.0246	0.0545
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0008	0.0047	0.0091
Schistosoma mansoni	hypothetical protein	0.0008	0.0056	0.0024
Trichomonas vaginalis	ap endonuclease, putative	0.0009	0.0073	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0056	0.0109
Leishmania major	As/Sb Reductase	0.0008	0.0056	0.0024
Trichomonas vaginalis	conserved hypothetical protein	0.0016	0.0246	0.0545
Brugia malayi	Cathepsin L-like precursor	0.0008	0.0047	0.0056
Echinococcus granulosus	aryl hydrocarbon receptor	0.0016	0.0246	0.0436
Loa Loa (eye worm)	ctsf protein	0.0008	0.0047	0.0091
Onchocerca volvulus		0.0045	0.1001	0.3685
Echinococcus granulosus	cathepsin l1	0.0008	0.0047	0.0083
Mycobacterium tuberculosis	holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie	0.0011	0.013	1
Leishmania major	hypothetical protein, conserved	0.0008	0.0056	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0056	0.0109
Entamoeba histolytica	DNA repair and recombination protein, putative	0.0148	0.3698	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0013	0.0175	0.0342
Trichomonas vaginalis	cdc25b, putative	0.0108	0.2637	0.7093
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0056	0.0024
Echinococcus granulosus	X box binding protein 1	0.0139	0.3448	0.6121
Loa Loa (eye worm)	hypothetical protein	0.004	0.0879	0.1719
Trichomonas vaginalis	guanylate cyclase, putative	0.0016	0.0246	0.0545
Chlamydia trachomatis	two component regulatory system sensor histidine kinase	0.0016	0.0246	1
Onchocerca volvulus		0.0008	0.0056	0.0034
Entamoeba histolytica	hypothetical protein, conserved	0.0148	0.3698	1
Leishmania major	hypothetical protein, conserved	0.0008	0.0056	0.0024
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0009	0.0073	0.0071
Trypanosoma cruzi	rhodanese-like domain containing protein, putative	0.0008	0.0056	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0056	0.0109
Echinococcus multilocularis	muscleblind protein	0.0072	0.1709	0.1709
Brugia malayi	Rhodanese-like domain containing protein	0.0108	0.2637	0.5139
Schistosoma mansoni	dual specificity protein phosphatase	0.0008	0.0056	0.0024
Brugia malayi	bHLH-PAS transcription factor	0.0045	0.1001	0.1929
Brugia malayi	MoeZ/MoeB domain containing protein	0.0008	0.0056	0.0074
Trypanosoma cruzi	rhodanese-like domain containing protein, putative	0.0008	0.0056	0.0024
Brugia malayi	Thiosulfate sulfurtransferase D2023.5	0.0008	0.0056	0.0074
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0009	0.0073	0.3107
Echinococcus multilocularis	cysteine protease	0.0008	0.0047	0.0047
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0031	0.0636	0.1595
Echinococcus multilocularis	X box binding protein 1	0.0139	0.3448	0.3448
Schistosoma mansoni	Centrosomal protein of 41 kDa (Cep41 protein) (Testis-specificprotein A14 protein)	0.0008	0.0056	0.0024
Entamoeba histolytica	hypothetical protein	0.0008	0.0056	0.0024
Plasmodium vivax	mitogen-activated protein kinase phosphatase 1, putative	0.0008	0.0056	0.1062
Brugia malayi	intermediate filament protein	0.0013	0.0175	0.0308
Mycobacterium leprae	Possible regulatory protein	0.0016	0.0246	1
Echinococcus multilocularis	lamin dm0	0.0013	0.0175	0.0175
Leishmania major	hypothetical protein, conserved	0.0008	0.0056	0.0024
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF6, putative	0.0148	0.3698	1
Trichomonas vaginalis	cdc25a, putative	0.0008	0.0056	0.0024
Brugia malayi	Rhodanese-like domain containing protein	0.0108	0.2637	0.5139
Echinococcus multilocularis	transfer RNA-Lys	0.0045	0.1001	0.1001
Leishmania major	PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative	0.0148	0.3698	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0031	0.0636	0.1615
Schistosoma mansoni	intermediate filament proteins	0.0013	0.0175	0.0351
Trypanosoma cruzi	cysteine peptidase, putative	0.0031	0.0636	0.1615
Plasmodium vivax	rhodanese like protein, putative	0.0008	0.0056	0.1062
Brugia malayi	hypothetical protein	0.0203	0.5114	1
Entamoeba histolytica	hypothetical protein, conserved	0.0008	0.0056	0.0024
Brugia malayi	Muscleblind-like protein	0.0072	0.1709	0.3318
Giardia lamblia	Rrm3p helicase	0.0148	0.3698	1
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0009	0.0073	0.2287
Entamoeba histolytica	rodhanase-like domain containing protein	0.0008	0.0056	0.0024
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0031	0.0636	0.1595
Echinococcus multilocularis	Rhodanese	0.0008	0.0056	0.0056
Schistosoma mansoni	hypothetical protein	0.0139	0.3448	0.9314
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0246	0.048
Trypanosoma cruzi	rhodanese-like domain containing protein, putative	0.0008	0.0056	0.0024
Schistosoma mansoni	single-minded	0.006	0.141	0.3733
Schistosoma mansoni	hypothetical protein	0.0082	0.1961	0.5242
Trypanosoma brucei	DNA repair and recombination helicase protein PIF7	0.0148	0.3698	1
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0016	0.0246	0.0545
Leishmania major	hypothetical protein, conserved	0.0008	0.0056	0.0024
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0009	0.0073	0.0047
Schistosoma mansoni	m-phase inducer phosphatase(cdc25)	0.0008	0.0056	0.0024
Trypanosoma brucei	DNA repair and recombination helicase protein PIF6	0.0148	0.3698	1
Echinococcus multilocularis	m phase inducer phosphatase(cdc25)	0.0108	0.2637	0.2637
Brugia malayi	hypoxia-induced factor 1	0.0187	0.4705	0.9198
Echinococcus multilocularis	tRNA 2 selenouridine synthase	0.0008	0.0056	0.0056
Trypanosoma cruzi	rhodanese-like domain containing protein, putative	0.0008	0.0056	0.0024
Schistosoma mansoni	hypothetical protein	0.0008	0.0056	0.0024
Echinococcus multilocularis	centrosomal protein of 41 kDa	0.0008	0.0056	0.0056
Onchocerca volvulus		0.0013	0.0175	0.0495
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0008	0.0047	0.0047
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.0016	0.0246	0.0545
Schistosoma mansoni	hypothetical protein	0.0082	0.1961	0.5242
Onchocerca volvulus		0.004	0.0879	0.3213
Onchocerca volvulus		0.0108	0.2637	1
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0056	0.0109
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0009	0.0073	0.018
Schistosoma mansoni	aryl hydrocarbon receptor	0.006	0.141	0.3733
Trypanosoma cruzi	rhodanese-like domain containing protein, putative	0.0008	0.0056	0.0024
Brugia malayi	Cathepsin L-like precursor	0.0008	0.0047	0.0056
Trichomonas vaginalis	mitotic inducer phosphatase CDC25, putative	0.0108	0.2637	0.7093
Trypanosoma cruzi	STE group serine/threonine-protein kinase, putative	0.0016	0.0246	0.0545
Onchocerca volvulus		0.0108	0.2637	1
Trichomonas vaginalis	cdc25b, putative	0.0108	0.2637	0.7093
Leishmania major	hypothetical protein, unknown function	0.0008	0.0056	0.0024
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0031	0.0636	0.1595
Trypanosoma cruzi	As/Sb Reductase, putative	0.0008	0.0056	0.0024
Brugia malayi	Cathepsin L-like precursor	0.0008	0.0047	0.0056
Trichomonas vaginalis	soluble guanylate cyclase gcy, putative	0.0016	0.0246	0.0545
Mycobacterium leprae	conserved hypothetical protein	0.0011	0.013	0.3912
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0009	0.0073	0.0047
Echinococcus granulosus	neuropeptide s receptor	0.0223	0.5633	1
Leishmania major	cathepsin L-like protease	0.0031	0.0636	0.1615
Trypanosoma cruzi	cysteine peptidase, putative	0.0031	0.0636	0.1615
Echinococcus granulosus	L aminoadipate semialdehyde	0.004	0.0879	0.156
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0031	0.0636	0.1595
Loa Loa (eye worm)	hypoxia-induced factor 1	0.0187	0.4705	0.9201
Trichomonas vaginalis	m-phase inducer phosphatase, putative	0.0008	0.0056	0.0024
Echinococcus granulosus	single minded 2	0.0045	0.1001	0.1777
Chlamydia trachomatis	holo [acyl-carrier protein] synthase	0.0011	0.013	0.3912
Leishmania major	cathepsin L-like protease	0.0031	0.0636	0.1615
Trichomonas vaginalis	conserved hypothetical protein	0.0148	0.3698	1
Echinococcus granulosus	intermediate filament protein	0.0013	0.0175	0.031
Loa Loa (eye worm)	cysteine protease	0.0008	0.0047	0.0091
Leishmania major	PAS-domain containing phosphoglycerate kinase, putative	0.0016	0.0246	0.0545
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0009	0.0073	0.0071
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0016	0.0246	0.0545
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0056	0.0024
Trichomonas vaginalis	m-phase inducer phosphatase, putative	0.0108	0.2637	0.7093
Echinococcus granulosus	Rhodanese	0.0008	0.0056	0.0099
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0009	0.0073	0.2287
Trypanosoma cruzi	cruzipain precursor, putative	0.0031	0.0636	0.1615
Schistosoma mansoni	ubiquitin-activating enzyme E1C	0.0008	0.0056	0.0024
Schistosoma mansoni	hypothetical protein	0.0148	0.3698	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0031	0.0636	0.1595
Loa Loa (eye worm)	hypothetical protein	0.0072	0.1709	0.3342
Trichomonas vaginalis	mitotic inducer phosphatase CDC25, putative	0.0108	0.2637	0.7093
Leishmania major	PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative	0.0148	0.3698	1
Trichomonas vaginalis	Phage shock protein E precursor, putative	0.0008	0.0056	0.0024
Brugia malayi	Papain family cysteine protease containing protein	0.0008	0.0047	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0203	0.5114	1
Plasmodium vivax	holo-[acyl-carrier-protein] synthase, putative	0.0011	0.013	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0008	0.0047	0.0047
Echinococcus granulosus	m phase inducer phosphatasecdc25	0.0108	0.2637	0.4681
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0056	0.0024
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0056	0.0024
Brugia malayi	Cathepsin L-like precursor	0.0008	0.0047	0.0056
Entamoeba histolytica	hypothetical protein	0.0008	0.0056	0.0024
Echinococcus multilocularis	aryl hydrocarbon receptor	0.0016	0.0246	0.0246
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0175	0.0342
Mycobacterium ulcerans	phosphopantetheinyl transferase, PptII	0.0011	0.013	0.0787
Entamoeba histolytica	rodhanase-like domain containing protein	0.0108	0.2637	0.7093
Leishmania major	cathepsin L-like protease	0.0031	0.0636	0.1615
Trichomonas vaginalis	ap endonuclease, putative	0.0009	0.0073	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0072	0.1709	0.3342
Schistosoma mansoni	hypothetical protein	0.0008	0.0056	0.0024
Echinococcus multilocularis	Aryl hydrocarbon receptor nuclear	0.0016	0.0246	0.0246
Echinococcus multilocularis	cathepsin L cysteine protease	0.0008	0.0047	0.0047
Loa Loa (eye worm)	intermediate filament protein	0.0013	0.0175	0.0342
Echinococcus granulosus	heat shock protein 67b2	0.0008	0.0056	0.0099
Echinococcus granulosus	geminin	0.0082	0.1961	0.3481
Onchocerca volvulus		0.0016	0.0246	0.0768
Schistosoma mansoni	ubiquitin-activating enzyme E1	0.0008	0.0056	0.0024
Entamoeba histolytica	rodhanase-like domain containing protein	0.0008	0.0056	0.0024
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0031	0.0636	0.1595
Schistosoma mansoni	m-phase inducer phosphatase(cdc25)	0.0108	0.2637	0.7093
Trypanosoma cruzi	rhodanese-like domain containing protein, putative	0.0008	0.0056	0.0024
Entamoeba histolytica	hypothetical protein, conserved	0.0008	0.0056	0.0024
Entamoeba histolytica	rodhanase-like domain containing protein	0.0108	0.2637	0.7093
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF7, putative	0.0148	0.3698	1
Echinococcus multilocularis	musashi	0.0013	0.0175	0.0175
Brugia malayi	Cathepsin L-like precursor	0.0008	0.0047	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0099	0.2418	0.4728
Echinococcus granulosus	muscleblind protein	0.0072	0.1709	0.3034
Echinococcus granulosus	Aryl hydrocarbon receptor nuclear	0.0016	0.0246	0.0436
Treponema pallidum	4'-phosphopantetheinyl transferase	0.0011	0.013	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0013	0.0175	0.0308
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0031	0.0636	0.1595
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0028	0.0567	0.1425
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0031	0.0636	0.1595
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0009	0.0073	0.0071
Leishmania major	3-mercaptopyruvate sulfurtransferase	0.0008	0.0056	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0108	0.2637	0.5156
Echinococcus multilocularis	heat shock protein 67b2	0.0008	0.0056	0.0056
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0016	0.0246	0.0545
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF7, putative	0.0148	0.3698	1
Mycobacterium ulcerans	putative regulatory protein	0.0045	0.1001	1
Echinococcus multilocularis	lamin	0.0013	0.0175	0.0175
Echinococcus multilocularis	muscleblind protein 1	0.0072	0.1709	0.1709
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0016	0.0246	0.0545
Trypanosoma cruzi	rhodanese-like domain containing protein, putative	0.0008	0.0056	0.0024
Trypanosoma brucei	hypothetical protein, conserved	0.0011	0.013	0.0204
Brugia malayi	PAS domain containing protein	0.006	0.141	0.2731
Entamoeba histolytica	hypothetical protein	0.0008	0.0056	0.0024
Loa Loa (eye worm)	fibroinase	0.0008	0.0047	0.0091
Toxoplasma gondii	exonuclease III APE	0.0009	0.0073	0.3107
Loa Loa (eye worm)	hypothetical protein	0.0108	0.2637	0.5156
Echinococcus granulosus	lamin dm0	0.0013	0.0175	0.031
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0009	0.0073	0.0073
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0169	0.033
Toxoplasma gondii	4'-phosphopantetheinyl transferase superfamily protein	0.0011	0.013	1
Leishmania major	hypothetical protein, conserved	0.0008	0.0056	0.0024
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0056	0.0024
Trichomonas vaginalis	m-phase inducer phosphatase, putative	0.0108	0.2637	0.7093
Plasmodium falciparum	mitogen-activated protein kinase phosphatase 1, putative	0.0008	0.0056	0.1062
Schistosoma mansoni	hypothetical protein	0.0008	0.0056	0.0024
Trichomonas vaginalis	cdc25c, putative	0.0008	0.0056	0.0024
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0031	0.0636	0.1595
Echinococcus granulosus	centrosomal protein of 41 kDa	0.0008	0.0056	0.0099
Trypanosoma cruzi	hypothetical protein, conserved	0.0008	0.0056	0.0024
Trichomonas vaginalis	conserved hypothetical protein	0.0016	0.0246	0.0545
Loa Loa (eye worm)	thiosulfate sulfurtransferase	0.0008	0.0056	0.0109
Trypanosoma cruzi	rhodanese-like domain containing protein, putative	0.0008	0.0056	0.0024
Trypanosoma cruzi	hypothetical protein, conserved	0.0008	0.0056	0.0024
Schistosoma mansoni	lamin	0.0013	0.0175	0.0351
Wolbachia endosymbiont of Brugia malayi	4'-phosphopantetheinyl transferase	0.0011	0.013	1
Leishmania major	protein kinase, putative	0.0016	0.0246	0.0545
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0009	0.0073	0.0071
Leishmania major	phosphopantetheinyl transferase-like protein	0.0011	0.013	0.0228
Echinococcus granulosus	lamin	0.0013	0.0175	0.031
Schistosoma mansoni	lamin	0.0013	0.0175	0.0351
Onchocerca volvulus		0.0008	0.0056	0.0034
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0007	0.0018	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0056	0.0109
Echinococcus multilocularis	ATP dependent DNA helicase PIF1	0.0148	0.3698	0.3698
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.0016	0.0246	0.0545
Toxoplasma gondii	rhodanese family domain-containing protein	0.0008	0.0056	0.1062
Brugia malayi	Rhodanese-like domain containing protein	0.0008	0.0056	0.0074
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0009	0.0073	0.0129
Brugia malayi	RIKEN cDNA 4930451A13	0.0008	0.0056	0.0074
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0008	0.0047	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0099	0.2418	0.4728
Brugia malayi	Rhodanese-like domain containing protein	0.0008	0.0056	0.0074
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0016	0.0246	0.0545
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0009	0.0073	0.3107
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0031	0.0636	0.1595
Trichomonas vaginalis	Phage shock protein E precursor, putative	0.0008	0.0056	0.0024
Echinococcus multilocularis	L aminoadipate semialdehyde	0.004	0.0879	0.0879
Echinococcus multilocularis	neuropeptide s receptor	0.0223	0.5633	0.5633
Entamoeba histolytica	rodhanase-like domain containing protein	0.0108	0.2637	0.7093
Trypanosoma cruzi	rhodanese-like domain containing protein, putative	0.0008	0.0056	0.0024
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0008	0.0047	0.0091
Brugia malayi	Cathepsin L-like precursor	0.0008	0.0047	0.0056
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0031	0.0636	0.1595
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0009	0.0073	0.0142
Plasmodium falciparum	holo-[acyl-carrier-protein] synthase, putative	0.0011	0.013	1
Plasmodium falciparum	rhodanese like protein, putative	0.0008	0.0056	0.1062
Trypanosoma cruzi	As/Sb Reductase, putative	0.0008	0.0056	0.0024
Trichomonas vaginalis	conserved hypothetical protein	0.0016	0.0246	0.0545
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.004	0.0879	0.2279
Entamoeba histolytica	hypothetical protein	0.0008	0.0056	0.0024
Onchocerca volvulus		0.0108	0.2637	1
Trichomonas vaginalis	cdc25c, putative	0.0108	0.2637	0.7093
Onchocerca volvulus		0.0013	0.0175	0.0495
Echinococcus multilocularis	cysteine protease	0.0008	0.0047	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0056	0.0109
Echinococcus multilocularis	neuropeptide receptor A26	0.0223	0.5633	0.5633
Schistosoma mansoni	ap endonuclease	0.0009	0.0073	0.0071
Echinococcus granulosus	neuropeptide receptor A26	0.0223	0.5633	1
Trichomonas vaginalis	guanylate cyclase, putative	0.0016	0.0246	0.0545
Echinococcus multilocularis	geminin	0.0082	0.1961	0.1961
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0008	0.0047	0.0083
Toxoplasma gondii	4'-phosphopantetheinyl transferase domain-containing protein	0.0011	0.013	1
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.004	0.0879	0.1689
Entamoeba histolytica	rodhanase-like domain containing protein	0.0008	0.0056	0.0024
Onchocerca volvulus		0.0108	0.2637	1
Trypanosoma cruzi	mercaptopyruvate sulfurtransferase, putative	0.0008	0.0056	0.0024
Loa Loa (eye worm)	aryl Hydrocarbon receptor Associated protein family member	0.0016	0.0246	0.048
Trichomonas vaginalis	thiosulfate sulfertansferase, putative	0.0008	0.0056	0.0024
Trichomonas vaginalis	m-phase inducer phosphatase, putative	0.0008	0.0056	0.0024
Trichomonas vaginalis	mitotic inducer phosphatase CDC25, putative	0.0108	0.2637	0.7093
Schistosoma mansoni	ap endonuclease	0.0009	0.0073	0.0071
Echinococcus granulosus	5'partial\|tRNA 2 selenouridine synthase	0.0008	0.0056	0.0099
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0047	0.0091
Echinococcus multilocularis	cathepsin L cysteine protease	0.0008	0.0047	0.0047
Brugia malayi	exodeoxyribonuclease III family protein	0.0009	0.0073	0.0107
Mycobacterium ulcerans	4'-phosphopantetheinyl transferase	0.0011	0.013	0.0787

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (ADMET)	= 0.73 ug ml-1	Cytotoxicity against human HepG2 cells by MTT method	ChEMBL.	17417907
IC50 (ADMET)	= 0.73 ug ml-1	Cytotoxicity against human HepG2 cells by MTT method	ChEMBL.	17417907
IC50 (ADMET)	= 0.99 ug ml-1	Cytotoxicity against human Hep3B cells by MTT method	ChEMBL.	17417907
IC50 (ADMET)	= 0.99 ug ml-1	Cytotoxicity against human MDA-MB-231 cells by MTT method	ChEMBL.	17417907
IC50 (ADMET)	= 0.99 ug ml-1	Cytotoxicity against human MDA-MB-231 cells by MTT method	ChEMBL.	17417907
IC50 (ADMET)	= 1.36 ug ml-1	Cytotoxicity against human MRC5 cells by MTT method	ChEMBL.	17417907
IC50 (ADMET)	= 1.36 ug ml-1	Cytotoxicity against human MRC5 cells by MTT method	ChEMBL.	17417907
IC50 (ADMET)	= 1.42 ug ml-1	Cytotoxicity against human A549 cells by MTT method	ChEMBL.	17417907
IC50 (ADMET)	= 1.42 ug ml-1	Cytotoxicity against human A549 cells by MTT method	ChEMBL.	17417907
IC50 (ADMET)	= 1.77 ug ml-1	Cytotoxicity against human MCF7 cells by MTT method	ChEMBL.	17417907
IC50 (ADMET)	= 1.77 ug ml-1	Cytotoxicity against human MCF7 cells by MTT method	ChEMBL.	17417907

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	17417907

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

PubChem: 16680370

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 422150